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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-ethyl-N-mesyl-anilino)acetamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S2/c1-3-19-8-12-21(13-9-19)26(32(2,28)29)18-23(27)24-20-10-14-22(15-11-20)33(30,31)25-16-6-4-5-7-17-25/h8-15H,3-7,16-18H2,1-2H3,(H,24,27)