N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(2-benzofuranyl)ethyl]-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(benzofuran-2-yl)ethyl]-1-brosyl-nipecotamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O4S/c1-15(21-13-16-5-2-3-7-20(16)29-21)24-22(26)17-6-4-12-25(14-17)30(27,28)19-10-8-18(23)9-11-19/h2-3,5,7-11,13,15,17H,4,6,12,14H2,1H3,(H,24,26)