2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(4-mesyl-2-nitro-anilino)-1-(4-phenylpiperazino)ethanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-29(27,28)16-7-8-17(18(13-16)23(25)26)20-14-19(24)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3