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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(2,3-dimethylphenyl)-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(2,3-dimethylphenyl)-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide Traditional Name: N-(2,3-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=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CC1=C(C(=CC=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/c1-19-5-4-6-24(21(19)3)29-37(33,34)27-16-23(9-7-20(27)2)28(32)31-13-11-30(12-14-31)17-22-8-10-25-26(15-22)36-18-35-25/h4-10,15-16,29H,11-14,17-18H2,1-3H3