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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-chloro-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=C1Cl)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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