2-oxidanylidenepropyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: acetonyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid acetonyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-13(18)12-22-16(19)14-6-8-15(9-7-14)23(20,21)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3