phenyl 2-chloranyl-4-(1-formamido-3-oxidanylidene-propyl)-3-methoxy-benzenesulfonate

Systemtic Name: phenyl 2-chloranyl-4-(1-formamido-3-oxidanylidene-propyl)-3-methoxy-benzenesulfonate Openeye Name: phenyl 2-chloro-4-(1-formamido-3-oxo-propyl)-3-methoxy-benzenesulfonate CAS Name: 2-chloro-4-(1-formamido-3-oxopropyl)-3-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-chloro-4-(1-formamido-3-oxopropyl)-3-methoxybenzenesulfonate Traditional Name: 2-chloro-4-(1-formamido-3-keto-propyl)-3-methoxy-benzenesulfonic acid phenyl ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Cl)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

COC1=C(C=CC(=C1Cl)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C17H16ClNO6S/c1-24-17-13(14(9-10-20)19-11-21)7-8-15(16(17)18)26(22,23)25-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21)