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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-methylphenyl)benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(m-tolyl)benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)benzenesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-N-(m-tolyl)benzenesulfonamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O5S/c1-21-6-5-7-23(16-21)30(36(32,33)24-8-3-2-4-9-24)19-27(31)29-14-12-28(13-15-29)18-22-10-11-25-26(17-22)35-20-34-25/h2-11,16-17H,12-15,18-20H2,1H3