(2R)-N-methyl-N-phenyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-methyl-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-propionamide 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)C(C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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