N-[(2S)-butan-2-yl]-1-(4-ethanoylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-(4-ethanoylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-benzyl-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[(2S)-butan-2-yl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-benzyl-N-[(2S)-butan-2-yl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-benzyl-N-[(1S)-1-methylpropyl]isonipecotamide Formula: C25H32N2O4S MolecularWeight: 456.59758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H32N2O4S/c1-4-19(2)27(18-21-8-6-5-7-9-21)25(29)23-14-16-26(17-15-23)32(30,31)24-12-10-22(11-13-24)20(3)28/h5-13,19,23H,4,14-18H2,1-3H3/t19-/m0/s1