(4-methylcyclohexyl) 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylcyclohexyl) 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-methylcyclohexyl) 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]butyric acid (4-methylcyclohexyl) ester Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O5S2/c1-12-3-5-13(6-4-12)26-18(23)10-9-17(22)21-19-20-15-8-7-14(28(2,24)25)11-16(15)27-19/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,21,22)