ethanesulfonic acid; N-[2-[[(3R)-1-[4-(6-methoxypyridin-3-yl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: ethanesulfonic acid; N-[2-[[(3R)-1-[4-(6-methoxypyridin-3-yl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: ethanesulfonic acid; N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: ethanesulfonic acid; N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: ethanesulfonic acid; N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: esylic acid; N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C30H43F3N4O10S2 MolecularWeight: 740.80843

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CCS(=O)(=O)O.COC1=NC=C(C=C1)C2(CCC(CC2)N3CCC(C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O

Isomeric SMILES

CCS(=O)(=O)O.CCS(=O)(=O)O.COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C26H31F3N4O4.2C2H6O3S/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29;2*1-2-6(3,4)5/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34);2*2H2,1H3,(H,3,4,5)/t20-,21?,25?;;/m1../s1