(3S)-N-[(2S)-butan-2-yl]-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-butan-2-yl]-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-butan-2-yl]-1-(3-chloro-4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-butan-2-yl]-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]nipecotamide Formula: C17H25ClN2O3S MolecularWeight: 372.91

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C17H25ClN2O3S/c1-4-13(3)19-17(21)14-6-5-9-20(11-14)24(22,23)15-8-7-12(2)16(18)10-15/h7-8,10,13-14H,4-6,9,11H2,1-3H3,(H,19,21)/t13-,14-/m0/s1