(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H30ClNO4S MolecularWeight: 464.0173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C24H30ClNO4S/c1-16-12-19(24(3,4)5)13-17(2)20(16)15-30-23(27)18-8-9-21(25)22(14-18)31(28,29)26-10-6-7-11-26/h8-9,12-14H,6-7,10-11,15H2,1-5H3