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

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)-6-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 6-(benzenesulfonyl)-2-benzyl-3-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 6-(benzenesulfonyl)-3-(1-formamido-3-oxopropyl)-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(benzenesulfonyl)-2-benzyl-3-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-benzyl-6-besyl-3-(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=CC(=C2S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(CC=O)NC=O

InChI

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