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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-(benzenesulfonyl)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-besyl-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O6S/c26-20(23-12-15-6-7-18-19(10-15)31-14-30-18)11-16-13-25(9-8-22-16)21(27)24-32(28,29)17-4-2-1-3-5-17/h1-7,10,16,22H,8-9,11-14H2,(H,23,26)(H,24,27)