2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O6S/c1-20-5-14-25(17-26(20)31(33)34)38(35,36)30(23-10-12-24(37-2)13-11-23)19-27(32)28-18-21-6-8-22(9-7-21)29-15-3-4-16-29/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,28,32)