3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-(benzenesulfonyl)-3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-besyl-3-[2-(homopiperonylamino)-2-keto-ethyl]piperazine-1-carboxamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O6S/c27-21(24-9-8-16-6-7-19-20(12-16)32-15-31-19)13-17-14-26(11-10-23-17)22(28)25-33(29,30)18-4-2-1-3-5-18/h1-7,12,17,23H,8-11,13-15H2,(H,24,27)(H,25,28)