3-[4-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methoxy-5-morpholinosulfonyl-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-methoxy-5-morpholinosulfonyl-phenyl)piperazino]sulfonylbenzonitrile Formula: C22H26N4O6S2 MolecularWeight: 506.59504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H26N4O6S2/c1-31-22-6-5-20(34(29,30)26-11-13-32-14-12-26)16-21(22)24-7-9-25(10-8-24)33(27,28)19-4-2-3-18(15-19)17-23/h2-6,15-16H,7-14H2,1H3