[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(piazthiol-4-ylsulfonylamino)propionic acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C24H21ClN4O5S2 MolecularWeight: 545.03034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C24H21ClN4O5S2/c1-15-10-11-17(25)13-19(15)26-22(30)14-34-24(31)20(12-16-6-3-2-4-7-16)29-36(32,33)21-9-5-8-18-23(21)28-35-27-18/h2-11,13,20,29H,12,14H2,1H3,(H,26,30)/t20-/m0/s1