N-(2-methoxy-5-nitro-phenyl)-4-(4-methylsulfonylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-(4-methylsulfonylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(4-mesylpiperazine-1-carbonyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C19H22N4O8S2 MolecularWeight: 498.52998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H22N4O8S2/c1-31-18-8-5-15(23(25)26)13-17(18)20-33(29,30)16-6-3-14(4-7-16)19(24)21-9-11-22(12-10-21)32(2,27)28/h3-8,13,20H,9-12H2,1-2H3