[2-[[4-(phenylsulfonyl)-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioic acid

Systemtic Name: [2-[[4-(phenylsulfonyl)-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioic acid Openeye Name: [[2-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioic acid CAS Name: [[2-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonyl]-1-oxoethyl]amino]carbamodithioic acid IUPAC Name: [[2-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioic acid Traditional Name: [[2-[(4-besyl-1H-pyrrol-3-yl)sulfonyl]acetyl]amino]carbamodithioic acid Formula: C13H13N3O5S4 MolecularWeight: 419.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)S

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)S

InChI

InChI=1S/C13H13N3O5S4/c17-12(15-16-13(22)23)8-24(18,19)10-6-14-7-11(10)25(20,21)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,15,17)(H2,16,22,23)