2-oxidanylidenepropyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 2-oxidanylidenepropyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: acetonyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid acetonyl ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H23NO6S/c1-13(19)12-24-17(20)15-11-14(7-8-16(15)23-2)25(21,22)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3