(4-tert-butylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-tert-butylphenyl)methyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (4-tert-butylbenzyl) ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C25H33NO4S/c1-18-14-19(2)16-26(15-18)31(28,29)23-12-8-21(9-13-23)24(27)30-17-20-6-10-22(11-7-20)25(3,4)5/h6-13,18-19H,14-17H2,1-5H3