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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-mesityl-benzamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)24-22(26)18-8-9-19(23)20(14-18)29(27,28)25-10-6-4-5-7-11-25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,24,26)