2-oxidanylidenepropyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: acetonyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid acetonyl ester Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO5S/c1-12(19)11-23-16(20)13-6-7-14(17)15(10-13)24(21,22)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3