1-(3-methyl-4-pentoxy-phenyl)sulfonylbenzotriazole

Systemtic Name: 1-(3-methyl-4-pentoxy-phenyl)sulfonylbenzotriazole Openeye Name: 1-(3-methyl-4-pentoxy-phenyl)sulfonylbenzotriazole CAS Name: 1-(3-methyl-4-pentoxyphenyl)sulfonylbenzotriazole IUPAC Name: 1-(3-methyl-4-pentoxyphenyl)sulfonylbenzotriazole Traditional Name: 1-(4-amoxy-3-methyl-phenyl)sulfonylbenzotriazole Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C18H21N3O3S/c1-3-4-7-12-24-18-11-10-15(13-14(18)2)25(22,23)21-17-9-6-5-8-16(17)19-20-21/h5-6,8-11,13H,3-4,7,12H2,1-2H3