(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(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(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

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