(1S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-16-8-9-19(14-17(16)2)26(24,25)22-12-10-21(11-13-22)15-20(23)18-6-4-3-5-7-18/h3-9,14,20,23H,10-13,15H2,1-2H3/p+1/t20-/m1/s1