(4-tert-butylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-tert-butylbenzyl) ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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