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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S/c1-18-10-13-24(23(16-18)30-27-21-8-4-5-9-22(21)28-30)34-26(31)20-12-11-19(2)25(17-20)35(32,33)29-14-6-3-7-15-29/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3