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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-chloranyl-phenyl]benzenesulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-chloro-phenyl]benzenesulfonamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-chlorophenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-chlorophenyl]benzenesulfonamide Traditional Name: N-[3-chloro-4-(4-piperonylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C25H24ClN3O5S MolecularWeight: 513.99316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H24ClN3O5S/c26-22-15-19(27-35(31,32)20-4-2-1-3-5-20)7-8-21(22)25(30)29-12-10-28(11-13-29)16-18-6-9-23-24(14-18)34-17-33-23/h1-9,14-15,27H,10-13,16-17H2