(2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C27H33N2O4S+ MolecularWeight: 481.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C27H32N2O4S/c1-21-8-13-27(18-22(21)2)34(31,32)29-16-14-28(15-17-29)19-25(30)20-33-26-11-9-24(10-12-26)23-6-4-3-5-7-23/h3-13,18,25,30H,14-17,19-20H2,1-2H3/p+1/t25-/m1/s1