[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H23BrN4O4S MolecularWeight: 555.44352

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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)N3CCCCC3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C25H23BrN4O4S/c1-17-9-12-23(22(15-17)30-27-20-7-3-4-8-21(20)28-30)34-25(31)18-10-11-19(26)24(16-18)35(32,33)29-13-5-2-6-14-29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3