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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-methylsulfanyl-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2-isopropylsulfonyl-3-methylsulfanyl-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-3-(methylthio)-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-3-methylsulfanyl-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2-isopropylsulfonyl-3-(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)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

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