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

Systemtic Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-21-18-10-4-15(14-19(18)23(25)26)5-11-20(24)16-6-8-17(9-7-16)29(27,28)22-12-2-3-13-22/h4-11,14,21H,2-3,12-13H2,1H3/b11-5+