3-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-mesityl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3S/c1-16-13-17(2)21(18(3)14-16)23-22(25)19-9-8-10-20(15-19)28(26,27)24-11-6-4-5-7-12-24/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,23,25)