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

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C27H31N5O5S2 MolecularWeight: 569.69554

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O5S2/c1-3-37-23-8-4-9-24-25(23)29-27(38-24)32(18-17-30-15-6-14-28-30)26(33)20-7-5-16-31(19-20)39(34,35)22-12-10-21(36-2)11-13-22/h4,6,8-15,20H,3,5,7,16-19H2,1-2H3