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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H24N4O6S MolecularWeight: 508.54626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O6S/c1-17-7-9-22(21(15-17)29-26-19-5-3-4-6-20(19)27-29)35-25(30)18-8-10-23(33-2)24(16-18)36(31,32)28-11-13-34-14-12-28/h3-10,15-16H,11-14H2,1-2H3