methyl 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxysulfonyl-phenyl]ethenyl]benzenesulfonate

Systemtic Name: methyl 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxysulfonyl-phenyl]ethenyl]benzenesulfonate Openeye Name: methyl 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxysulfonyl-phenyl]vinyl]benzenesulfonate CAS Name: 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxysulfonylphenyl]ethenyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-methoxysulfonylphenyl]ethenyl]benzenesulfonate Traditional Name: 5-[[4-(dimethylamino)-6-[2-methoxysulfonylethyl(methyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[ethyl(methyl)amino]-6-[2-methoxysulfonylethyl(methyl)amino]-s-triazin-2-yl]amino]-2-methoxysulfonyl-phenyl]vinyl]benzenesulfonic acid methyl ester Formula: C35H50N12O12S4 MolecularWeight: 959.1047

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(C)CCS(=O)(=O)OC)N(C)C)S(=O)(=O)OC)S(=O)(=O)OC)N(C)CCS(=O)(=O)OC

Isomeric SMILES

CCN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(C)CCS(=O)(=O)OC)N(C)C)S(=O)(=O)OC)S(=O)(=O)OC)N(C)CCS(=O)(=O)OC

InChI

InChI=1S/C35H50N12O12S4/c1-11-45(4)33-39-31(41-35(43-33)47(6)19-21-61(50,51)57-8)37-27-17-15-25(29(23-27)63(54,55)59-10)13-12-24-14-16-26(22-28(24)62(52,53)58-9)36-30-38-32(44(2)3)42-34(40-30)46(5)18-20-60(48,49)56-7/h12-17,22-23H,11,18-21H2,1-10H3,(H,36,38,40,42)(H,37,39,41,43)/b13-12+