phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-4-methyl-1-oxo-pentane-1-sulfonate CAS Name: 4-methyl-1-oxo-2-[[[oxo(propan-2-ylsulfonyl)methyl]amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 4-methyl-1-oxo-2-[phenyl-(propan-2-ylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Traditional Name: 2-[(isopropylsulfonylcarbonylamino)-phenyl-methyl]-1-keto-4-methyl-pentane-1-sulfonic acid phenyl ester Formula: C23H29NO7S2 MolecularWeight: 495.60886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(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/C23H29NO7S2/c1-16(2)15-20(22(25)33(29,30)31-19-13-9-6-10-14-19)21(18-11-7-5-8-12-18)24-23(26)32(27,28)17(3)4/h5-14,16-17,20-21H,15H2,1-4H3,(H,24,26)