3-azanyl-4-methyl-1-(phenylmethyl)-5-(trifluoromethylsulfonyl)indole-2-carboxylic acid

Systemtic Name: 3-azanyl-4-methyl-1-(phenylmethyl)-5-(trifluoromethylsulfonyl)indole-2-carboxylic acid Openeye Name: 3-amino-1-benzyl-4-methyl-5-(trifluoromethylsulfonyl)indole-2-carboxylic acid CAS Name: 3-amino-4-methyl-1-(phenylmethyl)-5-(trifluoromethylsulfonyl)-2-indolecarboxylic acid IUPAC Name: 3-amino-1-benzyl-4-methyl-5-(trifluoromethylsulfonyl)indole-2-carboxylic acid Traditional Name: 3-amino-1-benzyl-4-methyl-5-triflyl-indole-2-carboxylic acid Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)N)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c1-10-13(28(26,27)18(19,20)21)8-7-12-14(10)15(22)16(17(24)25)23(12)9-11-5-3-2-4-6-11/h2-8H,9,22H2,1H3,(H,24,25)