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

Systemtic Name: 3-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanyl-N-phenyl-benzamide Openeye Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-hydroxy-N-phenyl-benzamide CAS Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-hydroxy-N-phenylbenzamide IUPAC Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-hydroxy-N-phenylbenzamide Traditional Name: 3-amino-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-hydroxy-N-phenyl-benzamide Formula: C26H27FN4O5S MolecularWeight: 526.579783

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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=CC(=C(C=C4)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=CC(=C(C=C4)O)N

InChI

InChI=1S/C26H27FN4O5S/c1-37(35,36)24-16-19(27)8-9-22(24)29-11-13-30(14-12-29)25(33)17-31(20-5-3-2-4-6-20)26(34)18-7-10-23(32)21(28)15-18/h2-10,15-16,32H,11-14,17,28H2,1H3