1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1S)-1-phenylethyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(1S)-1-phenylethyl]isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S/c1-15(16-7-3-2-4-8-16)22-21(25)17-11-13-24(14-12-17)20-18-9-5-6-10-19(18)28(26,27)23-20/h2-10,15,17H,11-14H2,1H3,(H,22,25)/t15-/m0/s1