phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2,3-bis(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2,3-bis(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 2,3-bis(benzenesulfonyl)-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2,3-bis(benzenesulfonyl)-6-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,3-bis(benzenesulfonyl)-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2,3-dibesyl-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C28H23NO9S3 MolecularWeight: 613.67852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(CC=O)NC=O

InChI

InChI=1S/C28H23NO9S3/c30-19-18-25(29-20-31)24-16-17-26(39(32,33)22-12-6-2-7-13-22)28(40(34,35)23-14-8-3-9-15-23)27(24)41(36,37)38-21-10-4-1-5-11-21/h1-17,19-20,25H,18H2,(H,29,31)