3-cyano-4-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzoic acid

Systemtic Name: 3-cyano-4-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzoic acid Openeye Name: 3-cyano-4-[4-[(1R)-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]benzoic acid CAS Name: 3-cyano-4-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzoic acid IUPAC Name: 3-cyano-4-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzoic acid Traditional Name: 3-cyano-4-[4-[(1R)-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C[C@@H](CNS(=O)(=O)C(C)C)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C20H22N2O4S/c1-13(2)27(25,26)22-12-14(3)15-4-6-16(7-5-15)19-9-8-17(20(23)24)10-18(19)11-21/h4-10,13-14,22H,12H2,1-3H3,(H,23,24)/t14-/m0/s1