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

Systemtic Name: ethyl 4-[4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-pyrazol-1-ylethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C28H32N6O6S2 MolecularWeight: 612.72028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C28H32N6O6S2/c1-3-39-23-7-5-8-24-25(23)30-27(41-24)34(20-17-32-14-6-13-29-32)26(35)21-9-11-22(12-10-21)42(37,38)33-18-15-31(16-19-33)28(36)40-4-2/h5-14H,3-4,15-20H2,1-2H3