4-(azepan-1-ylsulfonyl)-N-(3-iodanyl-4-methyl-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-iodanyl-4-methyl-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-iodo-4-methyl-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-iodo-4-methylphenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-iodo-4-methylphenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-iodo-4-methyl-phenyl)benzamide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN2O3S/c1-15-6-9-17(14-19(15)21)22-20(24)16-7-10-18(11-8-16)27(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)