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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)butane-2-sulfonate Openeye Name: phenyl 1-(isopropylsulfonylcarbonylamino)-3-oxo-1-phenyl-butane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(propan-2-ylsulfonyl)methyl]amino]-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)butane-2-sulfonate Traditional Name: 1-(isopropylsulfonylcarbonylamino)-3-keto-1-phenyl-butane-2-sulfonic acid phenyl ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C(=O)NC(C1=CC=CC=C1)C(C(=O)C)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C20H23NO7S2/c1-14(2)29(24,25)20(23)21-18(16-10-6-4-7-11-16)19(15(3)22)30(26,27)28-17-12-8-5-9-13-17/h4-14,18-19H,1-3H3,(H,21,23)