1-azanyl-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-benzyl-2-(4-methoxyphenyl)sulfonyl-cyclohexanecarboxylic acid CAS Name: 1-amino-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-benzyl-2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-benzyl-2-(4-methoxyphenyl)sulfonyl-cyclohexanecarboxylic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCCCC2(C(=O)O)N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCCCC2(C(=O)O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-27-17-9-11-18(12-10-17)28(25,26)20(15-16-7-3-2-4-8-16)13-5-6-14-21(20,22)19(23)24/h2-4,7-12H,5-6,13-15,22H2,1H3,(H,23,24)