methanesulfonate; methyl 4-ethyl-5-fluoranyl-2-methoxy-6-(methylsulfonylamino)-1-piperidin-4-yl-indole-3-carboxylate

Systemtic Name: methanesulfonate; methyl 4-ethyl-5-fluoranyl-2-methoxy-6-(methylsulfonylamino)-1-piperidin-4-yl-indole-3-carboxylate Openeye Name: methanesulfonate; methyl 4-ethyl-5-fluoro-6-(methanesulfonamido)-2-methoxy-1-(4-piperidyl)indole-3-carboxylate CAS Name: 4-ethyl-5-fluoro-6-(methanesulfonamido)-2-methoxy-1-(4-piperidinyl)-3-indolecarboxylic acid methyl ester; methanesulfonate IUPAC Name: methanesulfonate; methyl 4-ethyl-5-fluoro-6-(methanesulfonamido)-2-methoxy-1-piperidin-4-ylindole-3-carboxylate Traditional Name: 4-ethyl-5-fluoro-6-(methanesulfonamido)-2-methoxy-1-(4-piperidyl)indole-3-carboxylic acid methyl ester mesylate Formula: C20H29FN3O8S2- MolecularWeight: 522.587963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1F)NS(=O)(=O)C)N(C(=C2C(=O)OC)OC)C3CCNCC3.CS(=O)(=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1F)NS(=O)(=O)C)N(C(=C2C(=O)OC)OC)C3CCNCC3.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H26FN3O5S.CH4O3S/c1-5-12-15-14(10-13(17(12)20)22-29(4,25)26)23(11-6-8-21-9-7-11)18(27-2)16(15)19(24)28-3;1-5(2,3)4/h10-11,21-22H,5-9H2,1-4H3;1H3,(H,2,3,4)/p-1