5-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(2,5-dimethylphenyl)-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-methyl-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=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

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

InChI

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