phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-6-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-6-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 3-(1-formamido-3-oxo-propyl)-6-isopropylsulfonyl-2-methylsulfanyl-benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-2-(methylthio)-6-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(1-formamido-3-oxopropyl)-2-methylsulfanyl-6-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 3-(1-formamido-3-keto-propyl)-6-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(=C(C=C1)C(CC=O)NC=O)SC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

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