N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)N=C1C

InChI

InChI=1S/C24H28N4O4S/c1-16-17(2)26-21-14-18(8-10-20(21)25-16)24(29)27-22-15-19(9-11-23(22)32-3)33(30,31)28-12-6-4-5-7-13-28/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,27,29)