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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]benzamide Traditional Name: 4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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