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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide CAS Name: N-(2-methyl-5-nitrophenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-[2-keto-2-(4-tosylpiperazino)ethyl]-N-(2-methyl-5-nitro-phenyl)methanesulfonamide Formula: C21H26N4O7S2 MolecularWeight: 510.58374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7S2/c1-16-4-8-19(9-5-16)34(31,32)23-12-10-22(11-13-23)21(26)15-24(33(3,29)30)20-14-18(25(27)28)7-6-17(20)2/h4-9,14H,10-13,15H2,1-3H3