(E)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-methylpiperidino)sulfonylphenyl]-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C25H24N4O5S2 MolecularWeight: 524.61186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5S2/c1-18-11-15-28(16-12-18)36(33,34)21-7-5-20(6-8-21)23(30)9-3-19-4-10-24(22(17-19)29(31)32)35-25-26-13-2-14-27-25/h2-10,13-14,17-18H,11-12,15-16H2,1H3/b9-3+