methyl (2S)-2-[2-(4-chlorophenyl)sulfonylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(4-chlorophenyl)sulfonylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-25-18(22)16(11-13-5-3-2-4-6-13)20-17(21)12-26(23,24)15-9-7-14(19)8-10-15/h2-10,16H,11-12H2,1H3,(H,20,21)/t16-/m0/s1