1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(p-tolylsulfonylamino)benzoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-(tosylamino)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O4S2/c1-15-10-12-16(13-11-15)30(26,27)24-18-7-3-2-6-17(18)22(25)28-14-21-23-19-8-4-5-9-20(19)29-21/h2-13,24H,14H2,1H3