ethyl 2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenoxy]ethanoate Openeye Name: ethyl 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate CAS Name: 2-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate Traditional Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetic acid ethyl ester Formula: C27H31N2O5S+ MolecularWeight: 495.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S/c1-2-33-26(30)21-34-24-13-15-25(16-14-24)35(31,32)29-19-17-28(18-20-29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,27H,2,17-21H2,1H3/p+1