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

Systemtic Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[1,3-benzothiazol-2-yl-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H28N6O5S2 MolecularWeight: 568.66772

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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=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N6O5S2/c1-2-37-26(34)29-14-17-31(18-15-29)39(35,36)21-10-8-20(9-11-21)24(33)32(19-16-30-13-5-12-27-30)25-28-22-6-3-4-7-23(22)38-25/h3-13H,2,14-19H2,1H3