(E)-1-(azocan-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(azocan-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(azocan-1-yl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-azocanyl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(azocan-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(azocan-1-yl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)prop-2-en-1-one Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCCCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H32N2O4S/c1-28-20-12-10-19(11-13-22(25)23-14-6-3-2-4-7-15-23)18-21(20)29(26,27)24-16-8-5-9-17-24/h10-13,18H,2-9,14-17H2,1H3/b13-11+