(3S)-3-[7-methoxy-1-(4-methylphenyl)sulfonyl-indol-4-yl]-1-oxidanyl-butan-2-one

Systemtic Name: (3S)-3-[7-methoxy-1-(4-methylphenyl)sulfonyl-indol-4-yl]-1-oxidanyl-butan-2-one Openeye Name: (3S)-1-hydroxy-3-[7-methoxy-1-(p-tolylsulfonyl)indol-4-yl]butan-2-one CAS Name: (3S)-1-hydroxy-3-[7-methoxy-1-(4-methylphenyl)sulfonyl-4-indolyl]-2-butanone IUPAC Name: (3S)-1-hydroxy-3-[7-methoxy-1-(4-methylphenyl)sulfonylindol-4-yl]butan-2-one Traditional Name: (3S)-1-hydroxy-3-(7-methoxy-1-tosyl-indol-4-yl)butan-2-one Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC(=C32)OC)C(C)C(=O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC(=C32)OC)[C@H](C)C(=O)CO

InChI

InChI=1S/C20H21NO5S/c1-13-4-6-15(7-5-13)27(24,25)21-11-10-17-16(14(2)18(23)12-22)8-9-19(26-3)20(17)21/h4-11,14,22H,12H2,1-3H3/t14-/m0/s1