1-azanyl-2-butanoyl-2-(4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-butanoyl-2-(4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-butanoyl-2-(4-methylsulfonylphenyl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-butanoyl-2-(4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-butyryl-2-(4-mesylphenyl)cyclohexanecarboxylic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCCCC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCC(=O)C1(CCCCC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-3-6-15(20)17(11-4-5-12-18(17,19)16(21)22)13-7-9-14(10-8-13)25(2,23)24/h7-10H,3-6,11-12,19H2,1-2H3,(H,21,22)