(3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-phenethyl-nipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-21(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)20-18-10-4-5-11-19(18)28(26,27)23-20/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)/t17-/m0/s1