N-[(1R)-1-phenylethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-phenylethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: N-[(1R)-1-phenylethyl]-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-phenylethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-18(2)20-9-11-22(12-10-20)30(28,29)26-15-13-25(14-16-26)17-23(27)24-19(3)21-7-5-4-6-8-21/h4-12,18-19H,13-17H2,1-3H3,(H,24,27)/p+1/t19-/m1/s1