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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonate CAS Name: 2-methyl-5-[(4-nitroanilino)-oxomethyl]benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-methyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonate Traditional Name: 2-methyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C27H21N5O6S MolecularWeight: 543.55054

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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=C(C=C3)[N+](=O)[O-])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=C(C=C3)[N+](=O)[O-])C)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C27H21N5O6S/c1-17-7-14-25(24(15-17)31-29-22-5-3-4-6-23(22)30-31)38-39(36,37)26-16-19(9-8-18(26)2)27(33)28-20-10-12-21(13-11-20)32(34)35/h3-16H,1-2H3,(H,28,33)