(E)-3-(4-chloranyl-3-nitro-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5S/c20-17-9-3-14(13-18(17)22(24)25)4-10-19(23)15-5-7-16(8-6-15)28(26,27)21-11-1-2-12-21/h3-10,13H,1-2,11-12H2/b10-4+