[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C24H21BrN4O5S MolecularWeight: 557.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C24H21BrN4O5S/c1-16-6-9-22(21(14-16)29-26-19-4-2-3-5-20(19)27-29)34-24(30)17-7-8-18(25)23(15-17)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3