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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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