[2-oxidanylidene-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-2-10-19-17(21)14-25-18(22)15-8-7-9-16(13-15)26(23,24)20-11-5-3-4-6-12-20/h7-9,13H,2-6,10-12,14H2,1H3,(H,19,21)