N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(coumaran-2-ylmethyl)-1-tosyl-isonipecotamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O4S/c1-16-6-8-20(9-7-16)29(26,27)24-12-10-17(11-13-24)22(25)23-15-19-14-18-4-2-3-5-21(18)28-19/h2-9,17,19H,10-15H2,1H3,(H,23,25)