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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(3-methoxyphenyl)benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(3-methoxyphenyl)benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(3-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methoxyphenyl)benzenesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-N-(3-methoxyphenyl)benzenesulfonamide Formula: C27H29N3O6S MolecularWeight: 523.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O6S/c1-34-23-7-5-6-22(17-23)30(37(32,33)24-8-3-2-4-9-24)19-27(31)29-14-12-28(13-15-29)18-21-10-11-25-26(16-21)36-20-35-25/h2-11,16-17H,12-15,18-20H2,1H3