4-(azepan-1-ylsulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)benzyl]benzamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-25(2)18-21-10-6-5-9-20(21)17-24-23(27)19-11-13-22(14-12-19)30(28,29)26-15-7-3-4-8-16-26/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3,(H,24,27)