N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-N-(4-methylphenyl)methanesulfonamide

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-N-(4-methylphenyl)methanesulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-N-(p-tolyl)methanesulfonamide CAS Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-N-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-N-(4-methylphenyl)methanesulfonamide Traditional Name: N-[4-keto-4-(4-piperonylpiperazino)butyl]-N-(p-tolyl)methanesulfonamide Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-19-5-8-21(9-6-19)27(33(2,29)30)11-3-4-24(28)26-14-12-25(13-15-26)17-20-7-10-22-23(16-20)32-18-31-22/h5-10,16H,3-4,11-15,17-18H2,1-2H3