N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]sulfonyl-N-piperonyl-benzenesulfonamide Formula: C25H27N3O7S2 MolecularWeight: 545.62778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O7S2/c1-33-21-5-3-20(4-6-21)27-12-14-28(15-13-27)37(31,32)23-9-7-22(8-10-23)36(29,30)26-17-19-2-11-24-25(16-19)35-18-34-24/h2-11,16,26H,12-15,17-18H2,1H3