[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H24N2O5S/c25-21(23-18-11-12-18)20(16-7-2-1-3-8-16)29-22(26)17-9-6-10-19(15-17)30(27,28)24-13-4-5-14-24/h1-3,6-10,15,18,20H,4-5,11-14H2,(H,23,25)/t20-/m1/s1