4-[4-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-morpholinopyrrolidin-1-yl)sulfonylphenyl]benzonitrile CAS Name: 4-[4-[[3-(4-morpholinyl)-1-pyrrolidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylphenyl]benzonitrile Traditional Name: 4-[4-(3-morpholinopyrrolidino)sulfonylphenyl]benzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC1N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N3O3S/c22-15-17-1-3-18(4-2-17)19-5-7-21(8-6-19)28(25,26)24-10-9-20(16-24)23-11-13-27-14-12-23/h1-8,20H,9-14,16H2