[(4-methylphenyl)sulfonylamino] benzoate; 1-propan-2-yloxypropan-2-ol

Systemtic Name: [(4-methylphenyl)sulfonylamino] benzoate; 1-propan-2-yloxypropan-2-ol Openeye Name: 1-isopropoxypropan-2-ol; (p-tolylsulfonylamino) benzoate CAS Name: benzoic acid [(4-methylphenyl)sulfonylamino] ester; 1-propan-2-yloxy-2-propanol IUPAC Name: [(4-methylphenyl)sulfonylamino] benzoate; 1-propan-2-yloxypropan-2-ol Traditional Name: benzoic acid (tosylamino) ester; 1-isopropoxypropan-2-ol Formula: C20H27NO6S MolecularWeight: 409.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NOC(=O)C2=CC=CC=C2.CC(C)OCC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NOC(=O)C2=CC=CC=C2.CC(C)OCC(C)O

InChI

InChI=1S/C14H13NO4S.C6H14O2/c1-11-7-9-13(10-8-11)20(17,18)15-19-14(16)12-5-3-2-4-6-12;1-5(2)8-4-6(3)7/h2-10,15H,1H3;5-7H,4H2,1-3H3