(2S)-N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(4-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(4-methylphenoxy)propanamide Openeye Name: (2S)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(4-methylphenoxy)propanamide CAS Name: (2S)-N-[2-chloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(4-methylphenoxy)propanamide IUPAC Name: (2S)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)propanamide Traditional Name: (2S)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(4-methylphenoxy)propionamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-15-4-6-17(7-5-15)29-16(2)21(26)23-20-14-18(8-9-19(20)22)30(27,28)25-12-10-24(3)11-13-25/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1