(4-methylsulfonylpiperazin-1-yl)-(3-nitro-4-phenylazanyl-phenyl)methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-(3-nitro-4-phenylazanyl-phenyl)methanone Openeye Name: (4-anilino-3-nitro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: (4-anilino-3-nitrophenyl)-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: (4-anilino-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-anilino-3-nitro-phenyl)-(4-mesylpiperazino)methanone Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-28(26,27)21-11-9-20(10-12-21)18(23)14-7-8-16(17(13-14)22(24)25)19-15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3