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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(2,4-dimethylphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(2,4-dimethylphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-2-methyl-5-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O5S/c1-19-4-8-24(21(3)14-19)29-37(33,34)27-16-23(7-5-20(27)2)28(32)31-12-10-30(11-13-31)17-22-6-9-25-26(15-22)36-18-35-25/h4-9,14-16,29H,10-13,17-18H2,1-3H3