4-[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(3S)-3-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidino]sulfonylbenzonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C[C@H]1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H16N4O2S/c19-11-13-5-7-15(8-6-13)25(23,24)22-10-9-14(12-22)18-20-16-3-1-2-4-17(16)21-18/h1-8,14H,9-10,12H2,(H,20,21)/t14-/m0/s1