(E)-1-(4-piperidin-1-ylsulfonylphenyl)-3-quinoxalin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-piperidin-1-ylsulfonylphenyl)-3-quinoxalin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(1-piperidylsulfonyl)phenyl]-3-quinoxalin-2-yl-prop-2-en-1-one CAS Name: (E)-1-[4-(1-piperidinylsulfonyl)phenyl]-3-(2-quinoxalinyl)-2-propen-1-one IUPAC Name: (E)-1-(4-piperidin-1-ylsulfonylphenyl)-3-quinoxalin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-piperidinosulfonylphenyl)-3-quinoxalin-2-yl-prop-2-en-1-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H21N3O3S/c26-22(13-10-18-16-23-20-6-2-3-7-21(20)24-18)17-8-11-19(12-9-17)29(27,28)25-14-4-1-5-15-25/h2-3,6-13,16H,1,4-5,14-15H2/b13-10+