2-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-N-phenyl-benzamide

Systemtic Name: 2-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-N-phenyl-benzamide Openeye Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-nitro-N-phenyl-benzamide CAS Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-nitro-N-phenylbenzamide IUPAC Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-nitro-N-phenylbenzamide Traditional Name: 2-amino-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-nitro-N-phenyl-benzamide Formula: C26H26FN5O6S MolecularWeight: 555.577943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C26H26FN5O6S/c1-39(37,38)24-15-18(27)7-10-23(24)29-11-13-30(14-12-29)25(33)17-31(19-5-3-2-4-6-19)26(34)21-9-8-20(32(35)36)16-22(21)28/h2-10,15-16H,11-14,17,28H2,1H3