N-[4-(azepan-1-ylsulfonyl)phenyl]-2-iodanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-iodanyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-iodo-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-iodobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-iodobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-iodo-benzamide Formula: C19H21IN2O3S MolecularWeight: 484.35111

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C19H21IN2O3S/c20-18-8-4-3-7-17(18)19(23)21-15-9-11-16(12-10-15)26(24,25)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)