N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]nipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C21H25N3O4S/c1-15-18(21(26)22-2)11-6-12-19(15)23-20(25)16-8-7-13-24(14-16)29(27,28)17-9-4-3-5-10-17/h3-6,9-12,16H,7-8,13-14H2,1-2H3,(H,22,26)(H,23,25)