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

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-morpholinophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-[4-(4-morpholinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-morpholinophenyl)prop-2-en-1-one Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H30N2O4S/c28-25(14-7-21-5-10-23(11-6-21)26-17-19-31-20-18-26)22-8-12-24(13-9-22)32(29,30)27-15-3-1-2-4-16-27/h5-14H,1-4,15-20H2/b14-7+