4-[(2E)-2-[5-oxidanylidene-1-[1-(phenylsulfonyl)pyrrolidin-3-yl]-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2E)-2-[5-oxidanylidene-1-[1-(phenylsulfonyl)pyrrolidin-3-yl]-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-[1-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-oxo-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2E)-2-[1-[1-(benzenesulfonyl)-3-pyrrolidinyl]-5-oxo-4,4-bis(pyridin-4-ylmethyl)-2-imidazolidinylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2E)-2-[1-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-oxo-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2E)-2-[1-(1-besylpyrrolidin-3-yl)-5-keto-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C34H30N6O4S MolecularWeight: 618.7048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C(=CC(=O)C3=CC=C(C=C3)C#N)NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC1N2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H30N6O4S/c35-23-27-6-8-28(9-7-27)31(41)20-32-38-34(21-25-10-15-36-16-11-25,22-26-12-17-37-18-13-26)33(42)40(32)29-14-19-39(24-29)45(43,44)30-4-2-1-3-5-30/h1-13,15-18,20,29,38H,14,19,21-22,24H2/b32-20+