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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-butylphenyl)-4-methyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-butylphenyl)-4-methyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(4-butylphenyl)-4-methylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-butylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-(4-butylphenyl)-4-methyl-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H35N3O5S/c1-3-4-5-23-7-10-25(11-8-23)31-39(35,36)26-12-6-22(2)27(19-26)30(34)33-16-14-32(15-17-33)20-24-9-13-28-29(18-24)38-21-37-28/h6-13,18-19,31H,3-5,14-17,20-21H2,1-2H3