(E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-1-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-21-18-8-2-15(14-19(18)23(25)26)3-9-20(24)16-4-6-17(7-5-16)30(27,28)22-10-12-29-13-11-22/h2-9,14,21H,10-13H2,1H3/b9-3+