[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O5S/c1-3-21-19(23)14(2)27-20(24)16-8-6-9-17(13-16)28(25,26)22-12-11-15-7-4-5-10-18(15)22/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23)/t14-/m0/s1