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

Systemtic Name: (E)-3-(3-methylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(m-tolyl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-methylphenyl)-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(m-tolyl)-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO3S/c1-17-6-5-7-18(16-17)8-13-21(23)19-9-11-20(12-10-19)26(24,25)22-14-3-2-4-15-22/h5-13,16H,2-4,14-15H2,1H3/b13-8+