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

Systemtic Name: (3S)-N-(2-methylquinolin-4-yl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methyl-4-quinolyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-methyl-4-quinolinyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylquinolin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-(2-methyl-4-quinolyl)nipecotamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-12-10-16(14-7-3-4-8-15(14)18-12)19-17(21)13-6-5-9-20(11-13)24(2,22)23/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,19,21)/t13-/m0/s1