(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-[3-(phenacylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H26N4O5S2/c1-34-22-12-10-19(16-23(22)36(32,33)28-14-6-3-7-15-28)11-13-24(31)29-18-26-27-25(29)35-17-21(30)20-8-4-2-5-9-20/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3/b13-11+