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

Systemtic Name: ethyl 3-[2-[2-(phenylsulfonyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H21N3O7S3 MolecularWeight: 511.59164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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