[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-5-(phenylcarbamoyl)benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-5-(phenylcarbamoyl)benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-5-(phenylcarbamoyl)benzenesulfonate CAS Name: 5-[anilino(oxo)methyl]-2-methylbenzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-methyl-5-(phenylcarbamoyl)benzenesulfonate Traditional Name: 2-methyl-5-(phenylcarbamoyl)benzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)C)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)C)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C27H22N4O4S/c1-18-12-15-25(24(16-18)31-29-22-10-6-7-11-23(22)30-31)35-36(33,34)26-17-20(14-13-19(26)2)27(32)28-21-8-4-3-5-9-21/h3-17H,1-2H3,(H,28,32)