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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=CC=C5

InChI

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