2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]cyclohexanecarboxylic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]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)N(CC2=CC=CC=C2)C3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3CCCCC3C(=O)O

InChI

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