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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-(phenylmethyl)-2-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 2-(benzenesulfonyl)-3-benzyl-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2-(benzenesulfonyl)-6-(1-formamido-3-oxopropyl)-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(benzenesulfonyl)-3-benzyl-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 3-benzyl-2-besyl-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C29H25NO7S2 MolecularWeight: 563.6413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=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)CC2=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/C29H25NO7S2/c31-19-18-27(30-21-32)26-17-16-23(20-22-10-4-1-5-11-22)28(38(33,34)25-14-8-3-9-15-25)29(26)39(35,36)37-24-12-6-2-7-13-24/h1-17,19,21,27H,18,20H2,(H,30,32)