N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2,5-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-2,5-dimethoxy-anilino)acetamide Formula: C23H31N3O7S2 MolecularWeight: 525.63814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O7S2/c1-32-19-10-13-22(33-2)21(16-19)26(34(3,28)29)17-23(27)24-18-8-11-20(12-9-18)35(30,31)25-14-6-4-5-7-15-25/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,24,27)