[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O5S/c1-3-24(19-9-5-4-6-10-19)21(25)17(2)29-22(26)18-11-13-20(14-12-18)30(27,28)23-15-7-8-16-23/h4-6,9-14,17H,3,7-8,15-16H2,1-2H3/t17-/m0/s1