methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O4S2/c1-12-8-9-13(18(21)24-3)10-16(12)26(22,23)20(2)11-17-19-14-6-4-5-7-15(14)25-17/h4-10H,11H2,1-3H3