3-(azepan-1-ylsulfonyl)-N-(3-ethoxyphenyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3-ethoxyphenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-ethoxyphenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-ethoxyphenyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-ethoxyphenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-m-phenetyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-3-28-20-10-8-9-19(16-20)23-22(25)18-12-11-17(2)21(15-18)29(26,27)24-13-6-4-5-7-14-24/h8-12,15-16H,3-7,13-14H2,1-2H3,(H,23,25)