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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-chloranyl-4-methoxy-phenyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-28-17-7-6-14(12-16(17)21)22-20(25)13-8-10-24(11-9-13)19-15-4-2-3-5-18(15)29(26,27)23-19/h2-7,12-13H,8-11H2,1H3,(H,22,25)