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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-chloranyl-phenyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chloro-phenyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-bromo-3-chlorophenyl)-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chlorophenyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-bromo-3-chloro-phenyl)-2-methyl-benzamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C20H22BrClN2O3S/c1-14-6-8-16(28(26,27)24-10-4-2-3-5-11-24)13-17(14)20(25)23-15-7-9-18(21)19(22)12-15/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)