3-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-m-anisyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-27-19-10-6-8-17(14-19)16-22-21(24)18-9-7-11-20(15-18)28(25,26)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,22,24)