[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

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

InChI

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