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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methoxy-5-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-benzyl-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2-methoxy-5-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-benzyl-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-benzyl-N-[2-keto-2-(4-piperonylpiperazino)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H33N3O6S/c1-22-8-10-26(36-2)28(16-22)39(34,35)32(19-23-6-4-3-5-7-23)20-29(33)31-14-12-30(13-15-31)18-24-9-11-25-27(17-24)38-21-37-25/h3-11,16-17H,12-15,18-21H2,1-2H3