N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(4-oxidanylbut-1-ynyl)pyrazin-2-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(4-oxidanylbut-1-ynyl)pyrazin-2-yl]propanamide Openeye Name: N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)pyrazin-2-yl]propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)pyrazin-2-yl]propanamide Traditional Name: N-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)pyrazin-2-yl]propionamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C#CCCO)C(=O)CCC3CCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=NC=C(N=C2)C#CCCO)C(=O)CCC3CCCC3)Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-32(30,31)21-11-10-19(14-20(21)24)27(23(29)12-9-17-6-2-3-7-17)22-16-25-18(15-26-22)8-4-5-13-28/h10-11,14-17,28H,2-3,5-7,9,12-13H2,1H3