7-chloranyl-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-chloranyl-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 7-chloro-3-methyl-N-[1-(p-tolylsulfonyl)-4-piperidyl]benzofuran-2-carboxamide CAS Name: 7-chloro-3-methyl-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-benzofurancarboxamide IUPAC Name: 7-chloro-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 7-chloro-3-methyl-N-(1-tosyl-4-piperidyl)coumarilamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C

InChI

InChI=1S/C22H23ClN2O4S/c1-14-6-8-17(9-7-14)30(27,28)25-12-10-16(11-13-25)24-22(26)20-15(2)18-4-3-5-19(23)21(18)29-20/h3-9,16H,10-13H2,1-2H3,(H,24,26)