3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-ethylsulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-ethylsulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-cyclopropyl-6-ethylsulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-6-ethylsulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-6-ethylsulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-cyclopropyl-6-esyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C26H26F6N2O6S MolecularWeight: 608.549859

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)N(C(C(C2)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C4CC4)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)N(C(C(C2)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C4CC4)C(=O)O

InChI

InChI=1S/C26H26F6N2O6S/c1-3-41(38,39)19-6-7-20-16(10-19)11-21(22(15-4-5-15)34(20)23(35)36)33(24(37)40-2)13-14-8-17(25(27,28)29)12-18(9-14)26(30,31)32/h6-10,12,15,21-22H,3-5,11,13H2,1-2H3,(H,35,36)