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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-[2-keto-2-(4-tosylpiperazino)ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C21H26N4O8S2 MolecularWeight: 526.58314

Click to see the large picture

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-])OC)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-])OC)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O8S2/c1-16-4-7-18(8-5-16)35(31,32)23-12-10-22(11-13-23)21(26)15-24(34(3,29)30)19-14-17(25(27)28)6-9-20(19)33-2/h4-9,14H,10-13,15H2,1-3H3