(4-tert-butyl-2-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31NO4S/c1-18-17-20(24(2,3)4)11-14-22(18)29-23(26)19-9-12-21(13-10-19)30(27,28)25-15-7-5-6-8-16-25/h9-14,17H,5-8,15-16H2,1-4H3