ethyl 4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H30N6O6S2 MolecularWeight: 598.6937

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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(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C27H30N6O6S2/c1-3-39-27(35)30-13-16-32(17-14-30)41(36,37)22-8-5-20(6-9-22)25(34)33(18-15-31-12-4-11-28-31)26-29-23-10-7-21(38-2)19-24(23)40-26/h4-12,19H,3,13-18H2,1-2H3