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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-oxidanyl-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 6-(1-formamido-3-oxo-propyl)-3-hydroxy-2-isopropylsulfonyl-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-3-hydroxy-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(1-formamido-3-oxopropyl)-3-hydroxy-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 6-(1-formamido-3-keto-propyl)-3-hydroxy-2-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H21NO8S2 MolecularWeight: 455.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)O

InChI

InChI=1S/C19H21NO8S2/c1-13(2)29(24,25)19-17(23)9-8-15(16(10-11-21)20-12-22)18(19)30(26,27)28-14-6-4-3-5-7-14/h3-9,11-13,16,23H,10H2,1-2H3,(H,20,22)