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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-propylphenyl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-propylphenyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-propylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-propylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(4-propylphenyl)isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-2-5-16-8-10-18(11-9-16)23-22(26)17-12-14-25(15-13-17)21-19-6-3-4-7-20(19)29(27,28)24-21/h3-4,6-11,17H,2,5,12-15H2,1H3,(H,23,26)