3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)indol-3-yl]but-2-en-1-one

Systemtic Name: 3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)indol-3-yl]but-2-en-1-one Openeye Name: 1-[1-(benzenesulfonyl)indol-3-yl]-3-methyl-2-phenylsulfanyl-but-2-en-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-indolyl]-3-methyl-2-(phenylthio)-2-buten-1-one IUPAC Name: 1-[1-(benzenesulfonyl)indol-3-yl]-3-methyl-2-phenylsulfanylbut-2-en-1-one Traditional Name: 1-(1-besylindol-3-yl)-3-methyl-2-(phenylthio)but-2-en-1-one Formula: C25H21NO3S2 MolecularWeight: 447.56914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC(=C(C(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C25H21NO3S2/c1-18(2)25(30-19-11-5-3-6-12-19)24(27)22-17-26(23-16-10-9-15-21(22)23)31(28,29)20-13-7-4-8-14-20/h3-17H,1-2H3