ethyl 1-[3-[7-(2-ethylheptyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[7-(2-ethylheptyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxyphenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxyphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[7-(2-ethylheptyl)-4-keto-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxy-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C32H47N5O6S MolecularWeight: 629.81048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)CC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC)OCCC)C

Isomeric SMILES

CCCCCC(CC)CC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC)OCCC)C

InChI

InChI=1S/C32H47N5O6S/c1-6-10-11-12-23(8-3)20-28-33-22(5)29-31(38)34-30(35-37(28)29)26-21-25(13-14-27(26)43-19-7-2)44(40,41)36-17-15-24(16-18-36)32(39)42-9-4/h13-14,21,23-24H,6-12,15-20H2,1-5H3,(H,34,35,38)