potassium N-[2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioate

Systemtic Name: potassium N-[2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioate Openeye Name: potassium N-[[2-[[4-(p-tolylsulfonyl)-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioate CAS Name: potassium N-[[2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]-1-oxoethyl]amino]carbamodithioate IUPAC Name: potassium N-[[2-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioate Traditional Name: potassium N-[[2-[(4-tosyl-1H-pyrrol-3-yl)sulfonyl]acetyl]amino]carbamodithioate Formula: C14H14KN3O5S4 MolecularWeight: 471.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)[S-].[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)[S-].[K+]

InChI

InChI=1S/C14H15N3O5S4.K/c1-9-2-4-10(5-3-9)26(21,22)12-7-15-6-11(12)25(19,20)8-13(18)16-17-14(23)24;/h2-7,15H,8H2,1H3,(H,16,18)(H2,17,23,24);/q;+1/p-1