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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-chloro-2-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=C(C(=CC=C4)Cl)C

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)C

InChI

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