[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(methoxycarbonylamino)benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(methoxycarbonylamino)benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(methoxycarbonylamino)benzenesulfonate CAS Name: 4-(methoxycarbonylamino)benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(methoxycarbonylamino)benzenesulfonate Traditional Name: 4-(carbomethoxyamino)benzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H18N4O5S/c1-14-7-12-20(19(13-14)25-23-17-5-3-4-6-18(17)24-25)30-31(27,28)16-10-8-15(9-11-16)22-21(26)29-2/h3-13H,1-2H3,(H,22,26)