3-[chloranyl-(4-methylphenyl)sulfonyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[chloranyl-(4-methylphenyl)sulfonyl-amino]propane-1-sulfonic acid Openeye Name: 3-[chloro(p-tolylsulfonyl)amino]propane-1-sulfonic acid CAS Name: 3-[chloro-(4-methylphenyl)sulfonylamino]-1-propanesulfonic acid IUPAC Name: 3-[chloro-(4-methylphenyl)sulfonylamino]propane-1-sulfonic acid Traditional Name: 3-[chloro(tosyl)amino]propane-1-sulfonic acid Formula: C10H14ClNO5S2 MolecularWeight: 327.80486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)Cl

InChI

InChI=1S/C10H14ClNO5S2/c1-9-3-5-10(6-4-9)19(16,17)12(11)7-2-8-18(13,14)15/h3-6H,2,7-8H2,1H3,(H,13,14,15)