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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C24H33N3O5S2 MolecularWeight: 507.66592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C24H33N3O5S2/c1-18-9-10-19(2)23(17-18)27(33(4,29)30)20(3)24(28)25-21-11-13-22(14-12-21)34(31,32)26-15-7-5-6-8-16-26/h9-14,17,20H,5-8,15-16H2,1-4H3,(H,25,28)