N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C24H31N3O6S2 MolecularWeight: 521.64944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O6S2/c1-19-6-9-22(35(31,32)27-14-16-33-17-15-27)18-23(19)24(28)25-20-7-10-21(11-8-20)34(29,30)26-12-4-2-3-5-13-26/h6-11,18H,2-5,12-17H2,1H3,(H,25,28)