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

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-32-23-12-10-21(20-24(23)33(30,31)28-14-6-3-7-15-28)11-13-25(29)27-18-16-26(17-19-27)22-8-4-2-5-9-22/h2,4-5,8-13,20H,3,6-7,14-19H2,1H3/b13-11+