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

Systemtic Name: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-[(1R)-1-methylpropyl]phenyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-[(1R)-1-methylpropyl]phenyl]-1-tosyl-nipecotamide Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N2O3S/c1-4-18(3)19-9-11-21(12-10-19)24-23(26)20-6-5-15-25(16-20)29(27,28)22-13-7-17(2)8-14-22/h7-14,18,20H,4-6,15-16H2,1-3H3,(H,24,26)/t18-,20+/m1/s1