N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]-cyano-methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]-cyano-methyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[[4-(butylamino)-1-piperidyl]sulfonyl]-2-thienyl]-cyano-methyl]-4-chloro-benzamide CAS Name: N-[[5-[[4-(butylamino)-1-piperidinyl]sulfonyl]-2-thiophenyl]-cyanomethyl]-4-chlorobenzamide IUPAC Name: N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]-cyanomethyl]-4-chlorobenzamide Traditional Name: N-[[5-[4-(butylamino)piperidino]sulfonyl-2-thienyl]-cyano-methyl]-4-chloro-benzamide Formula: C22H27ClN4O3S2 MolecularWeight: 495.05778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(C#N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(C#N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O3S2/c1-2-3-12-25-18-10-13-27(14-11-18)32(29,30)21-9-8-20(31-21)19(15-24)26-22(28)16-4-6-17(23)7-5-16/h4-9,18-19,25H,2-3,10-14H2,1H3,(H,26,28)