3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-[[3-methylsulfonyl-4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-[[3-methylsulfonyl-4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-methylsulfonyl-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)-N-[[3-methylsulfonyl-4-(trifluoromethoxy)anilino]-oxomethyl]anilino]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-methylsulfonyl-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-mesyl-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C32H32F3N3O8S MolecularWeight: 675.67199

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)C3=CC=C(C=C3)C4=CCCCC4)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)C3=CC=C(C=C3)C4=CCCCC4)OC(F)(F)F

InChI

InChI=1S/C32H32F3N3O8S/c1-47(44,45)28-17-24(13-16-27(28)46-32(33,34)35)37-31(43)38(25-14-11-22(12-15-25)21-5-3-2-4-6-21)19-20-7-9-23(10-8-20)29(40)36-18-26(39)30(41)42/h5,7-17,26,39H,2-4,6,18-19H2,1H3,(H,36,40)(H,37,43)(H,41,42)