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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-5-mesyl-2-methyl-benzamide Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C25H33N3O6S2/c1-19-7-8-20(35(2,30)31)17-22(19)25(29)26-23-18-21(36(32,33)28-13-15-34-16-14-28)9-10-24(23)27-11-5-3-4-6-12-27/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,26,29)