2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: N-[(1R)-1-phenylbutyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: N-[(1R)-1-phenylbutyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-3-7-22(20-8-5-4-6-9-20)24-23(27)18-25-14-16-26(17-15-25)30(28,29)21-12-10-19(2)11-13-21/h4-6,8-13,22H,3,7,14-18H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1