N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCOCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCOCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-16-6-7-17(20-19(23)15-21-10-12-26-13-11-21)14-18(16)27(24,25)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,20,23)/p+1