phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(1-formamido-3-oxo-propyl)-2-methylsulfanyl-benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-2-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-2-methylsulfanylbenzenesulfonate Traditional Name: 3-besyl-4-(1-formamido-3-keto-propyl)-2-(methylthio)benzenesulfonic acid phenyl ester Formula: C23H21NO7S3 MolecularWeight: 519.61034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO7S3/c1-32-22-21(34(29,30)31-17-8-4-2-5-9-17)13-12-19(20(14-15-25)24-16-26)23(22)33(27,28)18-10-6-3-7-11-18/h2-13,15-16,20H,14H2,1H3,(H,24,26)