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

Systemtic Name: methyl 3-[2-[3-(4-methylphenyl)sulfonylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[3-(p-tolylsulfonyl)propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-methylphenyl)sulfonylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(3-tosylpropanoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H23N3O7S3 MolecularWeight: 525.61822

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H23N3O7S3/c1-14-3-5-15(6-4-14)33(27,28)12-10-19(25)23-21-24(11-9-20(26)31-2)17-8-7-16(34(22,29)30)13-18(17)32-21/h3-8,13H,9-12H2,1-2H3,(H2,22,29,30)