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

Systemtic Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(pyridin-2-ylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-pyridylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[1,3-benzothiazol-2-yl(2-pyridinylmethyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(pyridin-2-ylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[1,3-benzothiazol-2-yl(2-pyridylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H27N5O5S2 MolecularWeight: 565.66378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N5O5S2/c1-2-37-27(34)30-15-17-31(18-16-30)39(35,36)22-12-10-20(11-13-22)25(33)32(19-21-7-5-6-14-28-21)26-29-23-8-3-4-9-24(23)38-26/h3-14H,2,15-19H2,1H3