3-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide CAS Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-diethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-diethylbenzotriazole-5-sulfonamide Traditional Name: 3-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Formula: C22H27N9O3S MolecularWeight: 497.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CON3C4=C(C=CC(=C4)S(=O)(=O)N(CC)CC)N=N3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CON3C4=C(C=CC(=C4)S(=O)(=O)N(CC)CC)N=N3

InChI

InChI=1S/C22H27N9O3S/c1-4-15-9-7-8-10-17(15)24-22-26-20(25-21(23)27-22)14-34-31-19-13-16(11-12-18(19)28-29-31)35(32,33)30(5-2)6-3/h7-13H,4-6,14H2,1-3H3,(H3,23,24,25,26,27)