[2-(methylamino)-5-nitro-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-(4-tosylpiperazino)methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-14-3-6-16(7-4-14)29(27,28)22-11-9-21(10-12-22)19(24)17-13-15(23(25)26)5-8-18(17)20-2/h3-8,13,20H,9-12H2,1-2H3