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

Systemtic Name: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-[(1R)-1-methylpropyl]phenyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(1R)-1-methylpropyl]phenyl]-2-(4-tosylpiperazin-1-ium-1-yl)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)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-19(3)21-7-5-6-8-22(21)24-23(27)17-25-13-15-26(16-14-25)30(28,29)20-11-9-18(2)10-12-20/h5-12,19H,4,13-17H2,1-3H3,(H,24,27)/p+1/t19-/m1/s1