3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-N,N-dimethyl-benzamide Openeye Name: 3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-N,N-dimethyl-benzamide CAS Name: 3-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]methyl]-N,N-dimethylbenzamide IUPAC Name: 3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-N,N-dimethylbenzamide Traditional Name: 3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-N,N-dimethyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-27(2)25(30)22-9-7-8-21(18-22)19-26-24(29)15-12-20-10-13-23(14-11-20)33(31,32)28-16-5-3-4-6-17-28/h7-11,13-14,18H,3-6,12,15-17,19H2,1-2H3,(H,26,29)