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

Systemtic Name: 1-azanyl-2-[(4-butylphenyl)-sulfamoyl-amino]-6-(9-ethylpurin-2-yl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-(4-butyl-N-sulfamoyl-anilino)-6-(9-ethylpurin-2-yl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-(4-butyl-N-sulfamoylanilino)-6-(9-ethyl-2-purinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-(4-butyl-N-sulfamoylanilino)-6-(9-ethylpurin-2-yl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-(4-butyl-N-sulfamoyl-anilino)-6-(9-ethylpurin-2-yl)cyclohexanecarboxylic acid Formula: C24H33N7O4S MolecularWeight: 515.62832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C2CCCC(C2(C(=O)O)N)C3=NC=C4C(=N3)N(C=N4)CC)S(=O)(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C2CCCC(C2(C(=O)O)N)C3=NC=C4C(=N3)N(C=N4)CC)S(=O)(=O)N

InChI

InChI=1S/C24H33N7O4S/c1-3-5-7-16-10-12-17(13-11-16)31(36(26,34)35)20-9-6-8-18(24(20,25)23(32)33)21-27-14-19-22(29-21)30(4-2)15-28-19/h10-15,18,20H,3-9,25H2,1-2H3,(H,32,33)(H2,26,34,35)