[(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(2R)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O6S/c1-14(31-21(27)19-17-4-2-3-5-18(17)23-24-19)20(26)22-15-6-8-16(9-7-15)32(28,29)25-10-12-30-13-11-25/h2-9,14H,10-13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1