ethyl 4-[4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H33N5O6S2 MolecularWeight: 587.71082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C27H33N5O6S2/c1-3-37-22-6-5-7-23-24(22)28-26(39-23)30-14-12-29(13-15-30)25(33)20-8-10-21(11-9-20)40(35,36)32-18-16-31(17-19-32)27(34)38-4-2/h5-11H,3-4,12-19H2,1-2H3