N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(o-tolyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-methylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-(o-tolyl)piperazine-1-carbonyl]-N-piperonyl-benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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