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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-12(2)6-8-18-16(20)11-24-17(21)14-4-5-15-13(10-14)7-9-19(15)25(3,22)23/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,20)