[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-18-12-13-24(23(16-18)29-26-21-10-3-4-11-22(21)27-29)33-25(30)19-8-7-9-20(17-19)34(31,32)28-14-5-2-6-15-28/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3