N-[(2R)-4-phenylbutan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-20(12-13-21-8-4-2-5-9-21)24-23(27)18-25-14-16-26(17-15-25)30(28,29)19-22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3,(H,24,27)/p+1/t20-/m1/s1