N-[[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Systemtic Name: N-[[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Openeye Name: N-[[6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]tetralin-6-sulfonamide CAS Name: N-[[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name: N-[[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Traditional Name: N-[[6-(4-ethylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]tetralin-6-sulfonamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H30N4O2S/c1-2-25-11-13-26(14-12-25)22-10-7-18(16-23-22)17-24-29(27,28)21-9-8-19-5-3-4-6-20(19)15-21/h7-10,15-16,24H,2-6,11-14,17H2,1H3/p+1