1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium CAS Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Formula: C22H29N6O4S+ MolecularWeight: 473.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3N=C(N=N3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C22H28N6O4S/c1-3-31-20-11-10-19(16-21(20)32-4-2)33(29,30)27-14-12-26(13-15-27)17-28-24-22(23-25-28)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1