(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-12(15(17)19)23-16(20)13-6-8-14(9-7-13)24(21,22)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3,(H2,17,19)