N-(1,3-benzodioxol-5-ylmethyl)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-cyclopentyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-cyclopentyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide Traditional Name: N-cyclopentyl-1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-piperonyl-nipecotamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCN(C4)C5=NS(=O)(=O)C6=CC=CC=C65

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4CCCN(C4)C5=NS(=O)(=O)C6=CC=CC=C65

InChI

InChI=1S/C26H29N3O5S/c30-26(29(20-7-1-2-8-20)15-18-11-12-22-23(14-18)34-17-33-22)19-6-5-13-28(16-19)25-21-9-3-4-10-24(21)35(31,32)27-25/h3-4,9-12,14,19-20H,1-2,5-8,13,15-17H2