N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-N-[2-keto-2-(4-tosylpiperazino)ethyl]methanesulfonamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=CC4=C(C=C3)OCO4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=CC4=C(C=C3)OCO4)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O7S2/c1-16-3-6-18(7-4-16)33(28,29)23-11-9-22(10-12-23)21(25)14-24(32(2,26)27)17-5-8-19-20(13-17)31-15-30-19/h3-8,13H,9-12,14-15H2,1-2H3