5-[4-(3-chloranylpropanoylamino)phenyl]carbonyl-2-methoxy-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-[4-(3-chloranylpropanoylamino)phenyl]carbonyl-2-methoxy-4-oxidanyl-benzenesulfonic acid Openeye Name: 5-[4-(3-chloropropanoylamino)benzoyl]-4-hydroxy-2-methoxy-benzenesulfonic acid CAS Name: 5-[[4-[(3-chloro-1-oxopropyl)amino]phenyl]-oxomethyl]-4-hydroxy-2-methoxybenzenesulfonic acid IUPAC Name: 5-[4-(3-chloropropanoylamino)benzoyl]-4-hydroxy-2-methoxybenzenesulfonic acid Traditional Name: 5-[4-(3-chloropropanoylamino)benzoyl]-4-hydroxy-2-methoxy-besylic acid Formula: C17H16ClNO7S MolecularWeight: 413.82944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=C(C=C2)NC(=O)CCCl)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=C(C=C2)NC(=O)CCCl)S(=O)(=O)O

InChI

InChI=1S/C17H16ClNO7S/c1-26-14-9-13(20)12(8-15(14)27(23,24)25)17(22)10-2-4-11(5-3-10)19-16(21)6-7-18/h2-5,8-9,20H,6-7H2,1H3,(H,19,21)(H,23,24,25)