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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)-4-methoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-15-7-9-18(17(22)13-15)23-21(25)16-8-10-19(28-2)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)