N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzenesulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide Traditional Name: N-[2-keto-1-methyl-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O5S/c1-16(22-30(26,27)18-5-3-2-4-6-18)21(25)24-11-9-23(10-12-24)14-17-7-8-19-20(13-17)29-15-28-19/h2-8,13,16,22H,9-12,14-15H2,1H3