phenyl 1-oxidanylidene-3-phenyl-3-(2-phenylethanoylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-3-(2-phenylethanoylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-isopropylsulfonyl-1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]propane-2-sulfonate CAS Name: 1-oxo-3-[(1-oxo-2-phenylethyl)amino]-3-phenyl-1-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]-1-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-isopropylsulfonyl-1-keto-3-phenyl-3-[(2-phenylacetyl)amino]propane-2-sulfonic acid phenyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO7S2/c1-19(2)35(30,31)26(29)25(36(32,33)34-22-16-10-5-11-17-22)24(21-14-8-4-9-15-21)27-23(28)18-20-12-6-3-7-13-20/h3-17,19,24-25H,18H2,1-2H3,(H,27,28)