N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H27N5O4S3 MolecularWeight: 545.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H27N5O4S3/c1-2-33-19-9-5-10-20-22(19)26-24(35-20)28(16-15-27-13-7-12-25-27)23(30)18-8-3-4-14-29(18)36(31,32)21-11-6-17-34-21/h5-7,9-13,17-18H,2-4,8,14-16H2,1H3