2-(phenylcarbonyloxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-benzoyloxyethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-benzoyloxyethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO6S/c24-21(18-9-4-3-5-10-18)28-15-16-29-22(25)19-11-8-12-20(17-19)30(26,27)23-13-6-1-2-7-14-23/h3-5,8-12,17H,1-2,6-7,13-16H2