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

Systemtic Name: phenyl 3-oxidanylidene-1,4-diphenyl-1-(propan-2-ylsulfonylcarbonylamino)butane-2-sulfonate Openeye Name: phenyl 1-(isopropylsulfonylcarbonylamino)-3-oxo-1,4-diphenyl-butane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(propan-2-ylsulfonyl)methyl]amino]-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1,4-diphenyl-1-(propan-2-ylsulfonylcarbonylamino)butane-2-sulfonate Traditional Name: 1-(isopropylsulfonylcarbonylamino)-3-keto-1,4-diphenyl-butane-2-sulfonic acid phenyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)S(=O)(=O)C(=O)NC(C1=CC=CC=C1)C(C(=O)CC2=CC=CC=C2)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)25(23(28)18-20-12-6-3-7-13-20)36(32,33)34-22-16-10-5-11-17-22/h3-17,19,24-25H,18H2,1-2H3,(H,27,29)