1-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(3-chloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-(3-chloro-N-mesyl-anilino)acetyl]isonipecotamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-31(29,30)26(20-9-5-8-19(23)14-20)16-21(27)25-12-10-18(11-13-25)22(28)24-15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15-16H2,1H3,(H,24,28)