[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N2O7S/c1-27-18-7-6-16(30(25,26)22-10-12-28-13-11-22)14-17(18)20(24)29-15-19(23)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13,15H2,1H3