methyl 2-(2-cyclohexylcarbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-cyclohexylcarbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[2-(cyclohexanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclohexyl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclohexanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCCC3

InChI

InChI=1S/C17H21N3O5S2/c1-25-15(21)10-20-13-8-7-12(27(18,23)24)9-14(13)26-17(20)19-16(22)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,18,23,24)