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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-chloro-4-methyl-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-chloro-4-methyl-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C27H30ClN3O3S MolecularWeight: 512.0634

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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=CC(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3O3S/c1-20-5-13-25(14-6-20)35(33,34)31(24-10-7-21(2)26(28)17-24)19-27(32)29-18-22-8-11-23(12-9-22)30-15-3-4-16-30/h5-14,17H,3-4,15-16,18-19H2,1-2H3,(H,29,32)