phenyl 1-oxidanylidene-2-[phenyl-(2-phenylethanoylamino)methyl]butane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(2-phenylethanoylamino)methyl]butane-1-sulfonate Openeye Name: phenyl 1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]butane-1-sulfonate CAS Name: 1-oxo-2-[[(1-oxo-2-phenylethyl)amino]-phenylmethyl]-1-butanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]butane-1-sulfonate Traditional Name: 1-keto-2-[phenyl-[(2-phenylacetyl)amino]methyl]butane-1-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-2-22(25(28)32(29,30)31-21-16-10-5-11-17-21)24(20-14-8-4-9-15-20)26-23(27)18-19-12-6-3-7-13-19/h3-17,22,24H,2,18H2,1H3,(H,26,27)