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

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-nipecotamide Formula: C27H31N5O4S2 MolecularWeight: 553.69614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H31N5O4S2/c1-3-36-23-8-4-9-24-25(23)29-27(37-24)32(18-17-30-15-6-14-28-30)26(33)21-7-5-16-31(19-21)38(34,35)22-12-10-20(2)11-13-22/h4,6,8-15,21H,3,5,7,16-19H2,1-2H3