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

Systemtic Name: 3-[[3-methyl-1-(phenylsulfonyl)-2H-indol-3-yl]methyl]but-3-en-2-one Openeye Name: 3-[[1-(benzenesulfonyl)-3-methyl-indolin-3-yl]methyl]but-3-en-2-one CAS Name: 3-[[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]methyl]-3-buten-2-one IUPAC Name: 3-[[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]methyl]but-3-en-2-one Traditional Name: 3-[(1-besyl-3-methyl-indolin-3-yl)methyl]but-3-en-2-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)CC1(CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)C(=C)CC1(CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO3S/c1-15(16(2)22)13-20(3)14-21(19-12-8-7-11-18(19)20)25(23,24)17-9-5-4-6-10-17/h4-12H,1,13-14H2,2-3H3