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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-propanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-propanamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-phenylpropanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenylpropanamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-phenyl-propionamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-22-13-15-23(16-14-22)27(25,26)19-10-8-18(9-11-19)21-20(24)12-7-17-5-3-2-4-6-17/h2-6,8-11H,7,12-16H2,1H3,(H,21,24)/p+1