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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-N-cyclohexyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-chloro-N-cyclohexyl-4-methoxy-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-chloro-N-cyclohexyl-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-chloro-N-cyclohexyl-4-methoxybenzenesulfonamide Traditional Name: 3-chloro-N-cyclohexyl-N-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-methoxy-benzenesulfonamide Formula: C27H34ClN3O6S MolecularWeight: 564.09336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CCCCC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5CCCCC5)Cl

InChI

InChI=1S/C27H34ClN3O6S/c1-35-24-10-8-22(16-23(24)28)38(33,34)31(21-5-3-2-4-6-21)18-27(32)30-13-11-29(12-14-30)17-20-7-9-25-26(15-20)37-19-36-25/h7-10,15-16,21H,2-6,11-14,17-19H2,1H3