4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-methylphenyl)benzenesulfonamide hydrochloride

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-methylphenyl)benzenesulfonamide hydrochloride Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(p-tolyl)benzenesulfonamide hydrochloride CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide hydrochloride IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide hydrochloride Traditional Name: 4-(4-piperonylpiperazine-1-carbonyl)-N-(p-tolyl)benzenesulfonamide hydrochloride Formula: C26H28ClN3O5S MolecularWeight: 530.03562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C26H27N3O5S.ClH/c1-19-2-7-22(8-3-19)27-35(31,32)23-9-5-21(6-10-23)26(30)29-14-12-28(13-15-29)17-20-4-11-24-25(16-20)34-18-33-24;/h2-11,16,27H,12-15,17-18H2,1H3;1H