N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-bromophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-bromophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-bromo-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-bromo-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-bromo-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-bromo-N-mesyl-anilino)acetamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O5S2/c1-31(27,28)25(19-8-6-7-17(22)15-19)16-21(26)23-18-9-11-20(12-10-18)32(29,30)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16H2,1H3,(H,23,26)