(4-tert-butylphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-tert-butylbenzyl) ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C27H29NO4S/c1-27(2,3)23-14-10-20(11-15-23)19-32-26(29)22-12-16-24(17-13-22)33(30,31)28-18-6-8-21-7-4-5-9-25(21)28/h4-5,7,9-17H,6,8,18-19H2,1-3H3