ethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C20H23N5O5S2/c1-4-30-20(27)16-12(2)17(21-13(16)3)19(26)24-8-10-25(11-9-24)32(28,29)15-7-5-6-14-18(15)23-31-22-14/h5-7,21H,4,8-11H2,1-3H3