3-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O3S/c1-25-12-14-26(15-13-25)30(28,29)19-9-7-18(8-10-19)24-22(27)11-6-17-16-23-21-5-3-2-4-20(17)21/h2-5,7-10,16,23H,6,11-15H2,1H3,(H,24,27)/p+1