1-(4-methylphenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-tosyl-1,4-diazepane Formula: C22H32N5O4S2+ MolecularWeight: 494.65058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O4S2/c1-19-4-6-20(7-5-19)32(28,29)26-11-3-10-25(14-17-26)22-9-8-21(18-23-22)33(30,31)27-15-12-24(2)13-16-27/h4-9,18H,3,10-17H2,1-2H3/p+1