(2S)-4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-methyl-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-methyl-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-methyl-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-4-keto-2-methyl-2-phenyl-butyrate Formula: C23H27N2O6S- MolecularWeight: 459.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC(C)(C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[C@@](C)(C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H28N2O6S/c1-3-31-19-12-11-18(15-20(19)32(29,30)25-13-7-8-14-25)24-21(26)16-23(2,22(27)28)17-9-5-4-6-10-17/h4-6,9-12,15H,3,7-8,13-14,16H2,1-2H3,(H,24,26)(H,27,28)/p-1/t23-/m0/s1