3-[5-(4-ethylpiperazin-1-yl)-2-methoxy-3-phenyl-phenyl]sulfonylpropanenitrile

Systemtic Name: 3-[5-(4-ethylpiperazin-1-yl)-2-methoxy-3-phenyl-phenyl]sulfonylpropanenitrile Openeye Name: 3-[5-(4-ethylpiperazin-1-yl)-2-methoxy-3-phenyl-phenyl]sulfonylpropanenitrile CAS Name: 3-[5-(4-ethyl-1-piperazinyl)-2-methoxy-3-phenylphenyl]sulfonylpropanenitrile IUPAC Name: 3-[5-(4-ethylpiperazin-1-yl)-2-methoxy-3-phenylphenyl]sulfonylpropanenitrile Traditional Name: 3-[5-(4-ethylpiperazino)-2-methoxy-3-phenyl-phenyl]sulfonylpropionitrile Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)(=O)CCC#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)(=O)CCC#N

InChI

InChI=1S/C22H27N3O3S/c1-3-24-11-13-25(14-12-24)19-16-20(18-8-5-4-6-9-18)22(28-2)21(17-19)29(26,27)15-7-10-23/h4-6,8-9,16-17H,3,7,11-15H2,1-2H3