5-(azepan-1-ylsulfonyl)-N-(4-iodanyl-2-methyl-phenyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-iodanyl-2-methyl-phenyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-iodo-2-methyl-phenyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-iodo-2-methylphenyl)-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-iodo-2-methylphenyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-iodo-2-methyl-phenyl)-2-methyl-benzamide Formula: C21H25IN2O3S MolecularWeight: 512.40427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H25IN2O3S/c1-15-7-9-18(28(26,27)24-11-5-3-4-6-12-24)14-19(15)21(25)23-20-10-8-17(22)13-16(20)2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)