(2S)-N-(4-ethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-4-15-6-8-16(9-7-15)18-17(21)14(2)19-10-5-11-20(13-12-19)24(3,22)23/h6-9,14H,4-5,10-13H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1