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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-6-(1-formamido-3-oxo-propyl)-2-(2-hydroxyphenyl)benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 3-benzyl-6-(1-formamido-3-keto-propyl)-2-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester Formula: C29H25NO6S MolecularWeight: 515.5769

Click to see the large picture

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)C4=CC=CC=C4O

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)C4=CC=CC=C4O

InChI

InChI=1S/C29H25NO6S/c31-18-17-26(30-20-32)24-16-15-22(19-21-9-3-1-4-10-21)28(25-13-7-8-14-27(25)33)29(24)37(34,35)36-23-11-5-2-6-12-23/h1-16,18,20,26,33H,17,19H2,(H,30,32)