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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1-methyl-3-phenyl-propyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-phenylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(1-methyl-3-phenyl-propyl)isonipecotamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c1-17(11-12-18-7-3-2-4-8-18)24-23(27)19-13-15-26(16-14-19)22-20-9-5-6-10-21(20)30(28,29)25-22/h2-10,17,19H,11-16H2,1H3,(H,24,27)