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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]benzenesulfonamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]benzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methylphenyl]benzenesulfonamide Traditional Name: N-[2-methyl-3-(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=C1NS(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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