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

Systemtic Name: 3-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C20H23N9O3S MolecularWeight: 469.52012

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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(C)C)N=N3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N9O3S/c1-4-13-7-5-6-8-15(13)22-20-24-18(23-19(21)25-20)12-32-29-17-11-14(33(30,31)28(2)3)9-10-16(17)26-27-29/h5-11H,4,12H2,1-3H3,(H3,21,22,23,24,25)