phenyl 2-chloranyl-3-ethoxy-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate

Systemtic Name: phenyl 2-chloranyl-3-ethoxy-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate Openeye Name: phenyl 2-chloro-3-ethoxy-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2-chloro-3-ethoxy-6-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-chloro-3-ethoxy-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-chloro-3-ethoxy-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO6S/c1-2-25-16-9-8-14(15(10-11-21)20-12-22)18(17(16)19)27(23,24)26-13-6-4-3-5-7-13/h3-9,11-12,15H,2,10H2,1H3,(H,20,22)