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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-chloranyl-4,6-dimethyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethyl-phenyl)benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-15-12-16(2)20(19(22)13-15)23-21(25)17-8-7-9-18(14-17)28(26,27)24-10-5-3-4-6-11-24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,25)