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

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

InChI

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