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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylsulfonylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(4-mesylphenyl)isonipecotamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-29(25,26)16-8-6-15(7-9-16)21-20(24)14-10-12-23(13-11-14)19-17-4-2-3-5-18(17)30(27,28)22-19/h2-9,14H,10-13H2,1H3,(H,21,24)