2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H30N4O4S/c1-27-18-8-6-17(7-9-18)20-19(24)16-21-12-14-23(15-13-21)28(25,26)22-10-4-2-3-5-11-22/h6-9H,2-5,10-16H2,1H3,(H,20,24)/p+1