[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H28N2O6S/c1-4-20-18(22)14(2)27-19(23)16-13-15(9-10-17(16)26-3)28(24,25)21-11-7-5-6-8-12-21/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,22)/t14-/m0/s1