N-(2-methyl-5-nitro-phenyl)-N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-N-(2-methyl-5-nitro-phenyl)methanesulfonamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methyl-5-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methyl-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(4-besylpiperazino)-2-keto-ethyl]-N-(2-methyl-5-nitro-phenyl)methanesulfonamide Formula: C20H24N4O7S2 MolecularWeight: 496.55716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H24N4O7S2/c1-16-8-9-17(24(26)27)14-19(16)23(32(2,28)29)15-20(25)21-10-12-22(13-11-21)33(30,31)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3