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

Systemtic Name: 3-[4-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methoxy-5-morpholinosulfonyl-phenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-methoxy-5-morpholinosulfonyl-phenyl)piperazine-1-carbonyl]benzonitrile Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-31-22-6-5-20(33(29,30)27-11-13-32-14-12-27)16-21(22)25-7-9-26(10-8-25)23(28)19-4-2-3-18(15-19)17-24/h2-6,15-16H,7-14H2,1H3