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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-methoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-2-methoxy-anilino)acetamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S2/c1-31-21-10-6-5-9-20(21)25(32(2,27)28)17-22(26)23-18-11-13-19(14-12-18)33(29,30)24-15-7-3-4-8-16-24/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,23,26)