N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-3-20-9-11-22(12-10-20)19(2)24-23(27)17-25-13-15-26(16-14-25)30(28,29)18-21-7-5-4-6-8-21/h4-12,19H,3,13-18H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1