(2R)-2-(azepan-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propionamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-16(21-9-4-2-3-5-10-21)19(23)20-17-7-6-8-18(15-17)27(24,25)22-11-13-26-14-12-22/h6-8,15-16H,2-5,9-14H2,1H3,(H,20,23)/p+1/t16-/m1/s1