diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(phenylsulfonyl)benzene-1,3-disulfonate

Systemtic Name: diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(phenylsulfonyl)benzene-1,3-disulfonate Openeye Name: diphenyl 2-(benzenesulfonyl)-4-(1-formamido-3-oxo-propyl)benzene-1,3-disulfonate CAS Name: 2-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)benzene-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 2-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)benzene-1,3-disulfonate Traditional Name: 2-besyl-4-(1-formamido-3-keto-propyl)benzene-1,3-disulfonic acid diphenyl ester Formula: C28H23NO10S3 MolecularWeight: 629.67792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO10S3/c30-19-18-25(29-20-31)24-16-17-26(41(34,35)38-21-10-4-1-5-11-21)28(40(32,33)23-14-8-3-9-15-23)27(24)42(36,37)39-22-12-6-2-7-13-22/h1-17,19-20,25H,18H2,(H,29,31)