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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-ethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-ethoxy-N-mesyl-anilino)acetamide Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O6S2/c1-3-32-21-10-8-9-20(17-21)26(33(2,28)29)18-23(27)24-19-11-13-22(14-12-19)34(30,31)25-15-6-4-5-7-16-25/h8-14,17H,3-7,15-16,18H2,1-2H3,(H,24,27)