phenyl 1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-1-oxo-pentane-1-sulfonate CAS Name: 1-oxo-2-[[[oxo(propan-2-ylsulfonyl)methyl]amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Traditional Name: 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S2/c1-4-11-19(21(24)32(28,29)30-18-14-9-6-10-15-18)20(17-12-7-5-8-13-17)23-22(25)31(26,27)16(2)3/h5-10,12-16,19-20H,4,11H2,1-3H3,(H,23,25)