N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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