[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC(C)C(=O)N2CCCCCC2

InChI

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