(3S)-N-[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C23H35N3O5S MolecularWeight: 465.6061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H35N3O5S/c1-17(22(27)25-19-9-5-3-4-6-10-19)24-23(28)18-8-7-15-26(16-18)32(29,30)21-13-11-20(31-2)12-14-21/h11-14,17-19H,3-10,15-16H2,1-2H3,(H,24,28)(H,25,27)/t17-,18-/m0/s1