(2S)-2-(4-bromanylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C20H25BrN3O4S+ MolecularWeight: 483.3992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-15(28-18-7-3-16(21)4-8-18)20(25)22-17-5-9-19(10-6-17)29(26,27)24-13-11-23(2)12-14-24/h3-10,15H,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1