N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)17-22(20-9-5-3-6-10-20)24-23(27)18-25-13-15-26(16-14-25)30(28,29)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1