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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-3-isopropylsulfonyl-2-methylsulfanyl-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-(methylthio)-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2-methylsulfanyl-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-3-isopropylsulfonyl-2-(methylthio)benzenesulfonic acid phenyl ester Formula: C20H23NO7S3 MolecularWeight: 485.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1SC)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1SC)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C20H23NO7S3/c1-14(2)30(24,25)20-16(17(11-12-22)21-13-23)9-10-18(19(20)29-3)31(26,27)28-15-7-5-4-6-8-15/h4-10,12-14,17H,11H2,1-3H3,(H,21,23)