methyl 2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2-chloro-4-methylsulfonyl-benzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(2-chloro-4-mesyl-benzoyl)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)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S/c1-25-18(22)16(10-12-6-4-3-5-7-12)20-17(21)14-9-8-13(11-15(14)19)26(2,23)24/h3-9,11,16H,10H2,1-2H3,(H,20,21)