3,4-dimethoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)sulfonylethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H29N3O6S2/c1-29-20-9-8-19(16-21(20)30-2)32(27,28)22-10-15-31(25,26)24-13-11-23(12-14-24)17-18-6-4-3-5-7-18/h3-9,16,22H,10-15,17H2,1-2H3