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

Systemtic Name: phenyl 6-ethoxy-3-(1-formamido-3-oxidanylidene-propyl)-2-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 2-(benzenesulfonyl)-6-ethoxy-3-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2-(benzenesulfonyl)-6-ethoxy-3-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(benzenesulfonyl)-6-ethoxy-3-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-besyl-6-ethoxy-3-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C24H23NO8S2 MolecularWeight: 517.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H23NO8S2/c1-2-32-22-14-13-20(21(15-16-26)25-17-27)23(34(28,29)19-11-7-4-8-12-19)24(22)35(30,31)33-18-9-5-3-6-10-18/h3-14,16-17,21H,2,15H2,1H3,(H,25,27)