2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H31N3O3S/c1-4-19(3)20-8-10-22(11-9-20)30(28,29)26-14-12-25(13-15-26)17-23(27)24-21-7-5-6-18(2)16-21/h5-11,16,19H,4,12-15,17H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1