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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] (2S)-2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: (2S)-1-mesyl-2-methyl-indoline-5-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N(C(C2)C)S(=O)(=O)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N([C@H](C2)C)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-4-5-6-7-10-20-18(22)13-26-19(23)15-8-9-17-16(12-15)11-14(2)21(17)27(3,24)25/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,22)/t14-/m0/s1