4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[azepan-1-ylsulfonyl(2-furylmethyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[1-azepanylsulfonyl(2-furanylmethyl)amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[azepan-1-ylsulfonyl(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide Traditional Name: 4-[[azepan-1-ylsulfonyl(2-furfuryl)amino]methyl]-N-methyl-benzamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-21-20(24)18-10-8-17(9-11-18)15-23(16-19-7-6-14-27-19)28(25,26)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,21,24)