3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-prop-2-enylsulfanylindol-1-yl)prop-2-en-1-one

Systemtic Name: 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-prop-2-enylsulfanylindol-1-yl)prop-2-en-1-one Openeye Name: 1-(2-allylsulfanylindol-1-yl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-[2-(prop-2-enylthio)-1-indolyl]-2-propen-1-one IUPAC Name: 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(2-prop-2-enylsulfanylindol-1-yl)prop-2-en-1-one Traditional Name: 1-[2-(allylthio)indol-1-yl]-3-(4-methoxy-3-piperidinosulfonyl-phenyl)prop-2-en-1-one Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2C3=CC=CC=C3C=C2SCC=C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)N2C3=CC=CC=C3C=C2SCC=C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H28N2O4S2/c1-3-17-33-26-19-21-9-5-6-10-22(21)28(26)25(29)14-12-20-11-13-23(32-2)24(18-20)34(30,31)27-15-7-4-8-16-27/h3,5-6,9-14,18-19H,1,4,7-8,15-17H2,2H3