[1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1H-indole-3-carboxylate sulfamate

Systemtic Name: [1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1H-indole-3-carboxylate sulfamate Openeye Name: [1-[2-(methanesulfonamido)ethyl]-4-piperidyl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate sulfamate CAS Name: 5-fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-[2-(methanesulfonamido)ethyl]-4-piperidinyl]methyl ester sulfamate IUPAC Name: [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate sulfamate Traditional Name: 5-fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-[2-(methanesulfonamido)ethyl]-4-piperidyl]methyl ester sulfamate Formula: C19H28FN4O8S2- MolecularWeight: 523.576023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)[O-]

InChI

InChI=1S/C19H26FN3O5S.H3NO3S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26;1-5(2,3)4/h3-4,11,13,21-22H,5-10,12H2,1-2H3;(H3,1,2,3,4)/p-1