[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N6O4S/c1-3-13-6-4-5-7-15(13)21-19-23-16(22-18(20)24-19)12-29-17(26)14-8-10-25(11-9-14)30(2,27)28/h4-7,14H,3,8-12H2,1-2H3,(H3,20,21,22,23,24)