3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methoxy-5-methyl-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methoxy-5-methyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-methoxy-5-methylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-15-7-10-19(28-2)18(13-15)23-21(25)16-8-9-17(22)20(14-16)29(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)