N-[2-chloranyl-4-[4-(2-morpholin-4-ylethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[4-(2-morpholin-4-ylethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-chloro-4-[4-(2-morpholinoethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-[2-(4-morpholinyl)ethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[4-(2-morpholin-4-ylethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-chloro-4-[4-(2-morpholinoethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide Formula: C18H28ClN4O4S+ MolecularWeight: 431.95732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3CCOCC3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3CCOCC3)Cl

InChI

InChI=1S/C18H27ClN4O4S/c1-15(24)20-18-3-2-16(14-17(18)19)28(25,26)23-8-6-21(7-9-23)4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24)/p+1