4-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-(2-benzylpyrrolidin-1-yl)sulfonylbenzonitrile CAS Name: 4-[[2-(phenylmethyl)-1-pyrrolidinyl]sulfonyl]benzonitrile IUPAC Name: 4-(2-benzylpyrrolidin-1-yl)sulfonylbenzonitrile Traditional Name: 4-(2-benzylpyrrolidino)sulfonylbenzonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c19-14-16-8-10-18(11-9-16)23(21,22)20-12-4-7-17(20)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2