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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-[4-[(1S)-1-methylpropyl]phenyl]piperidine-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[4-[(1S)-1-methylpropyl]phenyl]isonipecotamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-3-16(2)17-4-8-20(9-5-17)24-22(26)18-12-14-25(15-13-18)29(27,28)21-10-6-19(23)7-11-21/h4-11,16,18H,3,12-15H2,1-2H3,(H,24,26)/t16-/m0/s1