methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methylphenyl)propanoate

Systemtic Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methylphenyl)propanoate Openeye Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(p-tolyl)propanoate CAS Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-(piazthiol-4-ylsulfonylamino)-3-(p-tolyl)propionic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H17N3O4S2/c1-11-6-8-12(9-7-11)14(10-16(21)24-2)20-26(22,23)15-5-3-4-13-17(15)19-25-18-13/h3-9,14,20H,10H2,1-2H3/t14-/m0/s1