N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-iodophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-iodophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-iodo-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-iodo-N-mesyl-anilino)acetamide Formula: C21H26IN3O5S2 MolecularWeight: 591.48271

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=C(C=C3)I

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H26IN3O5S2/c1-31(27,28)25(19-10-6-17(22)7-11-19)16-21(26)23-18-8-12-20(13-9-18)32(29,30)24-14-4-2-3-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,26)