(4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C)C(C)(C)C

InChI

InChI=1S/C27H37NO5S/c1-19-15-21(27(3,4)5)16-20(2)24(19)18-33-26(29)23-17-22(11-12-25(23)32-6)34(30,31)28-13-9-7-8-10-14-28/h11-12,15-17H,7-10,13-14,18H2,1-6H3