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

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2,6-bis(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2,6-dibenzyl-3-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-2,6-bis(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,6-dibenzyl-3-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2,6-dibenzyl-3-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C30H27NO5S MolecularWeight: 513.60408

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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)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C30H27NO5S/c32-19-18-29(31-22-33)27-17-16-25(20-23-10-4-1-5-11-23)30(28(27)21-24-12-6-2-7-13-24)37(34,35)36-26-14-8-3-9-15-26/h1-17,19,22,29H,18,20-21H2,(H,31,33)