phenyl 1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3-(propan-2-ylsulfonylcarbonylamino)propane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3-(propan-2-ylsulfonylcarbonylamino)propane-1-sulfonate Openeye Name: phenyl 2-benzyl-3-(isopropylsulfonylcarbonylamino)-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 1-oxo-3-[[oxo(propan-2-ylsulfonyl)methyl]amino]-3-phenyl-2-(phenylmethyl)-1-propanesulfonic acid IUPAC Name: phenyl 2-benzyl-1-oxo-3-phenyl-3-(propan-2-ylsulfonylcarbonylamino)propane-1-sulfonate Traditional Name: 2-benzyl-3-(isopropylsulfonylcarbonylamino)-1-keto-3-phenyl-propane-1-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)NC(C1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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