methyl 3-[2-[2-(phenylsulfonyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(phenylsulfonyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(benzenesulfonyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(benzenesulfonyl)-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(benzenesulfonyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-besylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H19N3O7S3 MolecularWeight: 497.56506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O7S3/c1-29-18(24)9-10-22-15-8-7-14(32(20,27)28)11-16(15)30-19(22)21-17(23)12-31(25,26)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,20,27,28)