2-(phenylcarbonyloxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-benzoyloxyethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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