(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(4-hydroxy-3-methoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(4-hydroxy-3-methoxyphenyl)propanoic acid Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(4-hydroxy-3-methoxy-phenyl)propionic acid Formula: C16H16ClNO6S MolecularWeight: 385.81934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[C@@H](C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H16ClNO6S/c1-24-15-9-10(2-7-14(15)19)8-13(16(20)21)18-25(22,23)12-5-3-11(17)4-6-12/h2-7,9,13,18-19H,8H2,1H3,(H,20,21)/t13-/m0/s1