N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]ethyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazino]sulfonylethyl]-2,4-dimethyl-benzenesulfonamide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H29N3O5S2/c1-17-4-9-21(18(2)16-17)31(27,28)22-10-15-30(25,26)24-13-11-23(12-14-24)19-5-7-20(29-3)8-6-19/h4-9,16,22H,10-15H2,1-3H3