3-(azepan-1-ylsulfonyl)-N-(4-ethanoylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethanoylphenyl)benzamide Openeye Name: N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(4-acetylphenyl)-3-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)benzamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O4S/c1-16(24)17-9-11-19(12-10-17)22-21(25)18-7-6-8-20(15-18)28(26,27)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3,(H,22,25)