tert-butyl N-methyl-N-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]propyl]carbamate Openeye Name: tert-butyl N-methyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]propyl]carbamate CAS Name: N-methyl-N-[3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]propyl]carbamate Traditional Name: N-methyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]propyl]carbamic acid tert-butyl ester Formula: C20H34N5O6S+ MolecularWeight: 472.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H33N5O6S/c1-20(2,3)31-19(26)23(5)10-6-9-21-17-8-7-16(15-18(17)25(27)28)32(29,30)24-13-11-22(4)12-14-24/h7-8,15,21H,6,9-14H2,1-5H3/p+1