[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H22N2O5S/c1-3-17-15(19)12(2)23-16(20)13-7-6-8-14(11-13)24(21,22)18-9-4-5-10-18/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,17,19)/t12-/m0/s1