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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C25H26ClN5O4S2 MolecularWeight: 560.08804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=CC=C5Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=CC=C5Cl

InChI

InChI=1S/C25H26ClN5O4S2/c1-35-19-8-10-20(11-9-19)37(33,34)30-14-3-5-18(17-30)24(32)31(16-15-29-13-4-12-27-29)25-28-23-21(26)6-2-7-22(23)36-25/h2,4,6-13,18H,3,5,14-17H2,1H3