(2-methylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]-(o-tolyl)methanone Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-17-4-2-3-5-19(17)22(27)24-10-8-23(9-11-24)20-7-6-18(16-21(20)26(28)29)33(30,31)25-12-14-32-15-13-25/h2-7,16H,8-15H2,1H3