(3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-N-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-phenethyl-nipecotamide Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S/c28-23-9-5-17-27(23)21-10-12-22(13-11-21)32(30,31)26-16-4-8-20(18-26)24(29)25-15-14-19-6-2-1-3-7-19/h1-3,6-7,10-13,20H,4-5,8-9,14-18H2,(H,25,29)/t20-/m0/s1