3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-(3-carbamimidoylphenyl)-3-(p-tolylsulfonylamino)propanoate; 2,2,2-trifluoroacetate CAS Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-(3-amidinophenyl)-3-(tosylamino)propionate; 2,2,2-trifluoroacetate Formula: C19H18F3N3O6S-2 MolecularWeight: 473.42293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H19N3O4S.C2HF3O2/c1-11-5-7-14(8-6-11)25(23,24)20-15(10-16(21)22)12-3-2-4-13(9-12)17(18)19;3-2(4,5)1(6)7/h2-9,15,20H,10H2,1H3,(H3,18,19)(H,21,22);(H,6,7)/p-2