[2-(hexylamino)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-3-4-5-6-10-19-17(21)13-25-18(22)15-7-8-16-14(12-15)9-11-20(16)26(2,23)24/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,19,21)