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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(5-chloro-2,4-dimethoxy-phenyl)benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(5-chloro-2,4-dimethoxyphenyl)benzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(5-chloro-2,4-dimethoxyphenyl)benzenesulfonamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C27H28ClN3O7S MolecularWeight: 574.04512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl)OC

InChI

InChI=1S/C27H28ClN3O7S/c1-35-24-15-25(36-2)22(14-21(24)28)29-39(33,34)20-5-3-4-19(13-20)27(32)31-10-8-30(9-11-31)16-18-6-7-23-26(12-18)38-17-37-23/h3-7,12-15,29H,8-11,16-17H2,1-2H3