(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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