N-(2-cyanoethyl)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-(2-cyanoethyl)-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-N,3-dimethyl-benzofuran-2-carboxamide CAS Name: N-(2-cyanoethyl)-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N,3-dimethyl-2-benzofurancarboxamide IUPAC Name: N-(2-cyanoethyl)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-(2-cyanoethyl)-5-(3,5-dimethylpiperidino)sulfonyl-N,3-dimethyl-coumarilamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N(C)CCC#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N(C)CCC#N)C

InChI

InChI=1S/C21H27N3O4S/c1-14-10-15(2)13-24(12-14)29(26,27)17-6-7-19-18(11-17)16(3)20(28-19)21(25)23(4)9-5-8-22/h6-7,11,14-15H,5,9-10,12-13H2,1-4H3