2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[5-chloro-2-methoxy-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C27H30ClN3O4S MolecularWeight: 528.0628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C27H30ClN3O4S/c1-20-5-12-24(13-6-20)36(33,34)31(25-17-22(28)9-14-26(25)35-2)19-27(32)29-18-21-7-10-23(11-8-21)30-15-3-4-16-30/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,29,32)