3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-N-methyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-furylmethyl)-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-furanylmethyl)-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-furfuryl)-N-methyl-propionamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4S/c1-22(17-19-7-6-16-27-19)21(24)13-10-18-8-11-20(12-9-18)28(25,26)23-14-4-2-3-5-15-23/h6-9,11-12,16H,2-5,10,13-15,17H2,1H3