[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1R)-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-12(16(20)18-14-6-7-14)24-17(21)13-4-8-15(9-5-13)25(22,23)19-10-2-3-11-19/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,18,20)/t12-/m1/s1