ethyl 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(2-methyl-1,3-benzothiazol-5-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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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)SC(=N4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)SC(=N4)C

InChI

InChI=1S/C22H24N4O5S2/c1-3-31-22(28)25-10-12-26(13-11-25)33(29,30)18-7-4-16(5-8-18)21(27)24-17-6-9-20-19(14-17)23-15(2)32-20/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)