phenyl 3-oxidanylidene-1,4-diphenyl-1-(2-phenylethanoylamino)butane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1,4-diphenyl-1-(2-phenylethanoylamino)butane-2-sulfonate Openeye Name: phenyl 3-oxo-1,4-diphenyl-1-[(2-phenylacetyl)amino]butane-2-sulfonate CAS Name: 3-oxo-1-[(1-oxo-2-phenylethyl)amino]-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1,4-diphenyl-1-[(2-phenylacetyl)amino]butane-2-sulfonate Traditional Name: 3-keto-1,4-diphenyl-1-[(2-phenylacetyl)amino]butane-2-sulfonic acid phenyl ester Formula: C30H27NO5S MolecularWeight: 513.60408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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