3-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-5-(1-piperidylsulfonyl)-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 3-methyl-5-(1-piperidinylsulfonyl)-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 3-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-5-piperidinosulfonyl-N-(3-pyridylmethyl)coumarilamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-15-18-12-17(29(26,27)24-10-3-2-4-11-24)7-8-19(18)28-20(15)21(25)23-14-16-6-5-9-22-13-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,25)