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

Systemtic Name: (E)-3-(3-nitro-4-piperidin-1-yl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-nitro-4-(1-piperidyl)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(1-piperidinyl)phenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-piperidin-1-ylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitro-4-piperidino-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c28-24(20-8-10-21(11-9-20)33(31,32)26-16-4-5-17-26)13-7-19-6-12-22(23(18-19)27(29)30)25-14-2-1-3-15-25/h6-13,18H,1-5,14-17H2/b13-7+