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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-N-(3-methylphenyl)benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-N-(m-tolyl)benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-chloro-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-N-(3-methylphenyl)benzenesulfonamide Traditional Name: 2-chloro-N-(m-tolyl)-5-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C26H26ClN3O5S MolecularWeight: 528.01974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O5S/c1-18-3-2-4-21(13-18)28-36(32,33)25-15-20(6-7-22(25)27)26(31)30-11-9-29(10-12-30)16-19-5-8-23-24(14-19)35-17-34-23/h2-8,13-15,28H,9-12,16-17H2,1H3