benzotriazol-1-ylmethyl-[[(4-methoxyphenyl)amino]-[(4-methylphenyl)sulfonylamino]methylidene]azanium

Systemtic Name: benzotriazol-1-ylmethyl-[[(4-methoxyphenyl)amino]-[(4-methylphenyl)sulfonylamino]methylidene]azanium Openeye Name: benzotriazol-1-ylmethyl-[(4-methoxyanilino)-(p-tolylsulfonylamino)methylene]ammonium CAS Name: 1-benzotriazolylmethyl-[(4-methoxyanilino)-[(4-methylphenyl)sulfonylamino]methylidene]ammonium IUPAC Name: benzotriazol-1-ylmethyl-[(4-methoxyanilino)-[(4-methylphenyl)sulfonylamino]methylidene]azanium Traditional Name: benzotriazol-1-ylmethyl-[p-anisidino-(tosylamino)methylene]ammonium Formula: C22H23N6O3S+ MolecularWeight: 451.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+]CN2C3=CC=CC=C3N=N2)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=[NH+]CN2C3=CC=CC=C3N=N2)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N6O3S/c1-16-7-13-19(14-8-16)32(29,30)26-22(24-17-9-11-18(31-2)12-10-17)23-15-28-21-6-4-3-5-20(21)25-27-28/h3-14H,15H2,1-2H3,(H2,23,24,26)/p+1