methyl 4-[(4-dimethylaminophenyl)methylamino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-dimethylaminophenyl)methylamino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-dimethylaminophenyl)methylamino]-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoate CAS Name: 4-[(4-dimethylaminophenyl)methylamino]-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-dimethylaminophenyl)methylamino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(dimethylamino)benzyl]amino]-4-keto-2-[(1-tosylprolyl)amino]butyric acid methyl ester Formula: C26H34N4O6S MolecularWeight: 530.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)N(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)N(C)C)C(=O)OC

InChI

InChI=1S/C26H34N4O6S/c1-18-7-13-21(14-8-18)37(34,35)30-15-5-6-23(30)25(32)28-22(26(33)36-4)16-24(31)27-17-19-9-11-20(12-10-19)29(2)3/h7-14,22-23H,5-6,15-17H2,1-4H3,(H,27,31)(H,28,32)