(3S)-N-(2-methylquinolin-4-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methylquinolin-4-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-(2-methyl-4-quinolyl)piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-(2-methyl-4-quinolinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-(2-methyl-4-quinolyl)nipecotamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-16-14-21(19-11-5-6-12-20(19)23-16)24-22(26)17-8-7-13-25(15-17)29(27,28)18-9-3-2-4-10-18/h2-6,9-12,14,17H,7-8,13,15H2,1H3,(H,23,24,26)/t17-/m0/s1