3-[[1-(phenylsulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-(phenylsulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]propane-1-sulfonic acid Openeye Name: 3-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]propane-1-sulfonic acid CAS Name: 3-[[1-(benzenesulfonyl)-4-(trifluoromethyl)-3-indolyl]sulfonylamino]-1-propanesulfonic acid IUPAC Name: 3-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]propane-1-sulfonic acid Traditional Name: 3-[[1-besyl-4-(trifluoromethyl)indol-3-yl]sulfonylamino]propane-1-sulfonic acid Formula: C18H17F3N2O7S3 MolecularWeight: 526.52699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(F)(F)F)S(=O)(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(F)(F)F)S(=O)(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C18H17F3N2O7S3/c19-18(20,21)14-8-4-9-15-17(14)16(32(27,28)22-10-5-11-31(24,25)26)12-23(15)33(29,30)13-6-2-1-3-7-13/h1-4,6-9,12,22H,5,10-11H2,(H,24,25,26)