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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C24H21BrN4O4S MolecularWeight: 541.41694

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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)N3CCCC3)N4N=C5C=CC=CC5=N4

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O4S/c1-16-8-11-22(21(14-16)29-26-19-6-2-3-7-20(19)27-29)33-24(30)17-9-10-18(25)23(15-17)34(31,32)28-12-4-5-13-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3