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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O5S/c1-17-7-10-23(22(15-17)29-26-20-5-3-4-6-21(20)27-29)34-25(30)19-9-8-18(2)24(16-19)35(31,32)28-11-13-33-14-12-28/h3-10,15-16H,11-14H2,1-2H3