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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methylsulfonyl(phenyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesylanilino)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-30(26,27)24(19-9-5-4-6-10-19)17-21(25)22-18-11-13-20(14-12-18)31(28,29)23-15-7-2-3-8-16-23/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,22,25)