4-[1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]-2-[3-(phenylsulfonyl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]-2-[3-(phenylsulfonyl)phenoxy]benzenecarbonitrile Openeye Name: 2-[3-(benzenesulfonyl)phenoxy]-4-[1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile CAS Name: 2-[3-(benzenesulfonyl)phenoxy]-4-[1-(3-methyl-4-imidazolyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 2-[3-(benzenesulfonyl)phenoxy]-4-[1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Traditional Name: 2-(3-besylphenoxy)-4-[1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1N2CCCC2C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1N2CCCC2C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c1-30-19-29-18-27(30)31-14-6-11-25(31)20-12-13-21(17-28)26(15-20)34-22-7-5-10-24(16-22)35(32,33)23-8-3-2-4-9-23/h2-5,7-10,12-13,15-16,18-19,25H,6,11,14H2,1H3