2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-azanyl-1-azanylidene-propane-2-sulfonic acid

Systemtic Name: 2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-azanyl-1-azanylidene-propane-2-sulfonic acid Openeye Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-propane-2-sulfonic acid CAS Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-1-imino-2-propanesulfonic acid IUPAC Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-iminopropane-2-sulfonic acid Traditional Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-propane-2-sulfonic acid Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C=C(N(C2=C1)C)C(=O)N)C(F)(F)F)(C(=N)N)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC(=C2C=C(N(C2=C1)C)C(=O)N)C(F)(F)F)(C(=N)N)S(=O)(=O)O

InChI

InChI=1S/C14H15F3N4O4S/c1-13(12(19)20,26(23,24)25)6-3-8(14(15,16)17)7-5-10(11(18)22)21(2)9(7)4-6/h3-5H,1-2H3,(H2,18,22)(H3,19,20)(H,23,24,25)