(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-isobutyl-piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-isobutyl-nipecotamide Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4S/c1-12(2)10-19-17(21)13-5-4-8-20(11-13)25(22,23)14-6-7-16(24-3)15(18)9-14/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1