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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-methoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-3-methoxy-anilino)acetamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S2/c1-31-20-9-7-8-19(16-20)25(32(2,27)28)17-22(26)23-18-10-12-21(13-11-18)33(29,30)24-14-5-3-4-6-15-24/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,23,26)