1-azanyl-2-[(4-cyclohexylphenyl)-sulfamoyl-amino]-6-(9-ethylpurin-2-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-[(4-cyclohexylphenyl)-sulfamoyl-amino]-6-(9-ethylpurin-2-yl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-(4-cyclohexyl-N-sulfamoyl-anilino)-6-(9-ethylpurin-2-yl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-(4-cyclohexyl-N-sulfamoylanilino)-6-(9-ethyl-2-purinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-(4-cyclohexyl-N-sulfamoylanilino)-6-(9-ethylpurin-2-yl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-(4-cyclohexyl-N-sulfamoyl-anilino)-6-(9-ethylpurin-2-yl)cyclohexanecarboxylic acid Formula: C26H35N7O4S MolecularWeight: 541.6656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=CN=C(N=C21)C3CCCC(C3(C(=O)O)N)N(C4=CC=C(C=C4)C5CCCCC5)S(=O)(=O)N

Isomeric SMILES

CCN1C=NC2=CN=C(N=C21)C3CCCC(C3(C(=O)O)N)N(C4=CC=C(C=C4)C5CCCCC5)S(=O)(=O)N

InChI

InChI=1S/C26H35N7O4S/c1-2-32-16-30-21-15-29-23(31-24(21)32)20-9-6-10-22(26(20,27)25(34)35)33(38(28,36)37)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h11-17,20,22H,2-10,27H2,1H3,(H,34,35)(H2,28,36,37)