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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-methyl-phenyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-phenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-bromo-3-methylphenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methylphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-phenyl)-2-methoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-15-13-16(7-9-19(15)22)23-21(25)18-14-17(8-10-20(18)28-2)29(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)