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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C24H22N4O4S/c1-17-11-12-23(22(15-17)28-25-20-9-2-3-10-21(20)26-28)32-24(29)18-7-6-8-19(16-18)33(30,31)27-13-4-5-14-27/h2-3,6-12,15-16H,4-5,13-14H2,1H3