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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3O3S/c1-14-7-8-17(13-15(14)2)22-21(25)16-9-11-24(12-10-16)20-18-5-3-4-6-19(18)28(26,27)23-20/h3-8,13,16H,9-12H2,1-2H3,(H,22,25)