2-[(4-methylphenyl)sulfonylamino]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(p-tolylsulfonylamino)acetamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(tosylamino)acetamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-21-7-13-25(14-8-21)34(32,33)27-19-26(31)28-23-9-11-24(12-10-23)30-17-15-29(16-18-30)20-22-5-3-2-4-6-22/h2-14,27H,15-20H2,1H3,(H,28,31)/p+1