3-chloranyl-3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)indol-3-yl]butan-1-one

Systemtic Name: 3-chloranyl-3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)indol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)indol-3-yl]-3-chloro-3-methyl-2-phenylsulfanyl-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-indolyl]-3-chloro-3-methyl-2-(phenylthio)-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)indol-3-yl]-3-chloro-3-methyl-2-phenylsulfanylbutan-1-one Traditional Name: 1-(1-besylindol-3-yl)-3-chloro-3-methyl-2-(phenylthio)butan-1-one Formula: C25H22ClNO3S2 MolecularWeight: 484.03008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO3S2/c1-25(2,26)24(31-18-11-5-3-6-12-18)23(28)21-17-27(22-16-10-9-15-20(21)22)32(29,30)19-13-7-4-8-14-19/h3-17,24H,1-2H3