2-(phenylcarbonyloxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 2-benzoyloxyethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 2-benzoyloxyethyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO7S/c1-29-21-12-11-19(32(27,28)24-13-7-2-3-8-14-24)17-20(21)23(26)31-16-15-30-22(25)18-9-5-4-6-10-18/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3