N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[benzofuran-2-yl(phenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-benzofuranyl(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-benzofuran-2-yl(phenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[benzofuran-2-yl(phenyl)methyl]-1-tosyl-isonipecotamide Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H28N2O4S/c1-20-11-13-24(14-12-20)35(32,33)30-17-15-22(16-18-30)28(31)29-27(21-7-3-2-4-8-21)26-19-23-9-5-6-10-25(23)34-26/h2-14,19,22,27H,15-18H2,1H3,(H,29,31)