(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-methylpropyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-methylpropyl]nipecotamide Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S/c1-4-13(2)18-17(20)14-6-5-11-19(12-14)24(21,22)16-9-7-15(23-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14+/m1/s1