(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O6S/c24-20(22-13-15-28-16-14-22)17-29-21(25)10-7-18-5-8-19(9-6-18)30(26,27)23-11-3-1-2-4-12-23/h5-10H,1-4,11-17H2