(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide

Systemtic Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide Openeye Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide CAS Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methoxy-3-dibenzofuranyl)propanamide IUPAC Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide Traditional Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)propionamide Formula: C28H32N3O5S+ MolecularWeight: 522.63578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C

InChI

InChI=1S/C28H31N3O5S/c1-18-9-10-21(15-19(18)2)37(33,34)31-13-11-30(12-14-31)20(3)28(32)29-24-17-26-23(16-27(24)35-4)22-7-5-6-8-25(22)36-26/h5-10,15-17,20H,11-14H2,1-4H3,(H,29,32)/p+1/t20-/m1/s1