(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)NC4CC4)C

InChI

InChI=1S/C23H29N3O3S/c1-17-8-11-21(18(2)16-17)30(28,29)26-14-12-25(13-15-26)22(19-6-4-3-5-7-19)23(27)24-20-9-10-20/h3-8,11,16,20,22H,9-10,12-15H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1