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

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N2O5S/c1-12(16(20)18-14-7-8-14)24-17(21)13-5-4-6-15(11-13)25(22,23)19-9-2-3-10-19/h4-6,11-12,14H,2-3,7-10H2,1H3,(H,18,20)/t12-/m0/s1