4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-4-carbonitrile CAS Name: 4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]piperidine-4-carbonitrile Traditional Name: 4-phenyl-1-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]isonipecotonitrile Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c26-18-25(20-9-5-2-6-10-20)13-15-29(16-14-25)32(30,31)21-11-12-22-23(17-21)28-24(27-22)19-7-3-1-4-8-19/h1-12,17H,13-16H2,(H,27,28)