phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methoxy-3-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methoxy-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-4-(1-formamido-3-oxo-propyl)-2-methoxy-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-methoxy-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-(1-formamido-3-oxopropyl)-2-methoxybenzenesulfonate Traditional Name: 3-benzyl-4-(1-formamido-3-keto-propyl)-2-methoxy-benzenesulfonic acid phenyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1CC2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H23NO6S/c1-30-24-21(16-18-8-4-2-5-9-18)20(22(14-15-26)25-17-27)12-13-23(24)32(28,29)31-19-10-6-3-7-11-19/h2-13,15,17,22H,14,16H2,1H3,(H,25,27)