1-(4-methylphenyl)sulfonyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)piperidine-4-carboxamide Openeye Name: N-(1-oxo-3H-isobenzofuran-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(1-oxo-3H-isobenzofuran-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(1-oxo-3H-2-benzofuran-5-yl)piperidine-4-carboxamide Traditional Name: N-(1-ketophthalan-5-yl)-1-tosyl-isonipecotamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)C(=O)OC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)C(=O)OC4

InChI

InChI=1S/C21H22N2O5S/c1-14-2-5-18(6-3-14)29(26,27)23-10-8-15(9-11-23)20(24)22-17-4-7-19-16(12-17)13-28-21(19)25/h2-7,12,15H,8-11,13H2,1H3,(H,22,24)