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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-iodanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-iodo-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-iodobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-iodobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-iodo-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(=CC=C2)I)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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