methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(piazthiol-4-ylsulfonylamino)propionic acid methyl ester Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H16N4O4S2/c1-26-18(23)15(9-11-10-19-13-6-3-2-5-12(11)13)22-28(24,25)16-8-4-7-14-17(16)21-27-20-14/h2-8,10,15,19,22H,9H2,1H3/t15-/m0/s1