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

Systemtic Name: N-(3-acetamidophenyl)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxamide Openeye Name: N-(3-acetamidophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(3-acetamidophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(3-acetamidophenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4S/c1-14(26)22-16-5-4-6-17(13-16)23-21(27)15-9-11-25(12-10-15)20-18-7-2-3-8-19(18)30(28,29)24-20/h2-8,13,15H,9-12H2,1H3,(H,22,26)(H,23,27)