2-[(1S)-1-(carboxyamino)-2-phenyl-ethyl]-1-(4-methylphenyl)sulfonyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(1S)-1-(carboxyamino)-2-phenyl-ethyl]-1-(4-methylphenyl)sulfonyl-imidazole-4-carboxylic acid Openeye Name: 2-[(1S)-1-(carboxyamino)-2-phenyl-ethyl]-1-(p-tolylsulfonyl)imidazole-4-carboxylic acid CAS Name: 2-[(1S)-1-(carboxyamino)-2-phenylethyl]-1-(4-methylphenyl)sulfonyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(1S)-1-(carboxyamino)-2-phenylethyl]-1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid Traditional Name: 2-[(1S)-1-(carboxyamino)-2-phenyl-ethyl]-1-tosyl-imidazole-4-carboxylic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2C(CC3=CC=CC=C3)NC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2[C@H](CC3=CC=CC=C3)NC(=O)O)C(=O)O

InChI

InChI=1S/C20H19N3O6S/c1-13-7-9-15(10-8-13)30(28,29)23-12-17(19(24)25)21-18(23)16(22-20(26)27)11-14-5-3-2-4-6-14/h2-10,12,16,22H,11H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1