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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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