(3E)-1-(phenylmethyl)-3-[[1-(phenylsulfonyl)indol-3-yl]methylidene]piperidin-4-one

Systemtic Name: (3E)-1-(phenylmethyl)-3-[[1-(phenylsulfonyl)indol-3-yl]methylidene]piperidin-4-one Openeye Name: (3E)-3-[[1-(benzenesulfonyl)indol-3-yl]methylene]-1-benzyl-piperidin-4-one CAS Name: (3E)-3-[[1-(benzenesulfonyl)-3-indolyl]methylidene]-1-(phenylmethyl)-4-piperidinone IUPAC Name: (3E)-3-[[1-(benzenesulfonyl)indol-3-yl]methylidene]-1-benzylpiperidin-4-one Traditional Name: (3E)-1-benzyl-3-[(1-besylindol-3-yl)methylene]-4-piperidone Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C1=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C/C(=C\C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)/C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3S/c30-27-15-16-28(18-21-9-3-1-4-10-21)19-23(27)17-22-20-29(26-14-8-7-13-25(22)26)33(31,32)24-11-5-2-6-12-24/h1-14,17,20H,15-16,18-19H2/b23-17+