[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O4S/c1-17-9-12-24(23(15-17)30-27-21-7-3-4-8-22(21)28-30)34-25(31)19-16-18(10-11-20(19)26)35(32,33)29-13-5-2-6-14-29/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3