(4-tert-butylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-tert-butylbenzyl) ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

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