(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-morpholino-prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-morpholino-prop-2-en-1-one Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c22-19(20-13-15-25-16-14-20)10-7-17-5-8-18(9-6-17)26(23,24)21-11-3-1-2-4-12-21/h5-10H,1-4,11-16H2/b10-7+