methyl 3-[2-[2-(4-methylphenyl)sulfonylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(4-methylphenyl)sulfonylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(p-tolylsulfonyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-methylphenyl)sulfonylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(2-tosylacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H21N3O7S3 MolecularWeight: 511.59164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C20H21N3O7S3/c1-13-3-5-14(6-4-13)32(26,27)12-18(24)22-20-23(10-9-19(25)30-2)16-8-7-15(33(21,28)29)11-17(16)31-20/h3-8,11H,9-10,12H2,1-2H3,(H2,21,28,29)