5-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: 5-chloro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-(4-piperidinosulfonylbenzyl)coumaran-2-carboxamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H23ClN2O4S/c22-17-6-9-19-16(12-17)13-20(28-19)21(25)23-14-15-4-7-18(8-5-15)29(26,27)24-10-2-1-3-11-24/h4-9,12,20H,1-3,10-11,13-14H2,(H,23,25)