ethyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21FN4O5S2 MolecularWeight: 492.543643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O5S2/c1-2-31-21(28)26-11-9-25(10-12-26)19(27)14-3-8-17-18(13-14)32-20(23-17)24-33(29,30)16-6-4-15(22)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,23,24)