2-cyclohexyl-4-oxidanylidene-4-phenylazanyl-3-sulfonyl-butanoic acid

Systemtic Name: 2-cyclohexyl-4-oxidanylidene-4-phenylazanyl-3-sulfonyl-butanoic acid Openeye Name: 4-anilino-2-cyclohexyl-4-oxo-3-sulfonyl-butanoic acid CAS Name: 4-anilino-2-cyclohexyl-4-oxo-3-sulfonylbutanoic acid IUPAC Name: 4-anilino-2-cyclohexyl-4-oxo-3-sulfonylbutanoic acid Traditional Name: 4-anilino-2-cyclohexyl-4-keto-3-sulfonyl-butyric acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=S(=O)=O)C(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C(=S(=O)=O)C(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO5S/c18-15(17-12-9-5-2-6-10-12)14(23(21)22)13(16(19)20)11-7-3-1-4-8-11/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,17,18)(H,19,20)