1,3-benzothiazol-2-ylmethyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O4S2/c1-13-7-3-5-9-15(13)20(26(2,22)23)11-18(21)24-12-17-19-14-8-4-6-10-16(14)25-17/h3-10H,11-12H2,1-2H3