[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: morpholino-[3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]methanone CAS Name: [4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: morpholino-[3-nitro-4-(4-tosylpiperazino)phenyl]methanone Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

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