2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-29(27,28)25(20-6-4-5-19(22)13-20)16-21(26)23-14-17-7-9-18(10-8-17)15-24-11-2-3-12-24/h4-10,13H,2-3,11-12,14-16H2,1H3,(H,23,26)