(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4S/c1-17-14-20(24(3,4)5)15-18(2)22(17)16-29-23(26)19-8-10-21(11-9-19)30(27,28)25-12-6-7-13-25/h8-11,14-15H,6-7,12-13,16H2,1-5H3