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

Systemtic Name: methyl (3S)-3-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[(4-chloro-3-methylsulfonyl-benzoyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(4-chloro-3-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)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S/c1-25-17(21)11-15(12-6-4-3-5-7-12)20-18(22)13-8-9-14(19)16(10-13)26(2,23)24/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m0/s1