ethyl 4-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(1,3-benzothiazol-6-ylamino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H22N4O5S2/c1-2-30-21(27)24-9-11-25(12-10-24)32(28,29)17-6-3-15(4-7-17)20(26)23-16-5-8-18-19(13-16)31-14-22-18/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)