[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-12-20-18(22)15(2)26-19(23)16-8-10-17(11-9-16)27(24,25)21-13-6-4-5-7-14-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,20,22)