2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile CAS Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonylmethyl]benzonitrile IUPAC Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonylmethyl]benzonitrile Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)CC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N2O4S/c21-13-16-4-1-2-5-17(16)14-27(23,24)22-9-3-6-18(22)15-7-8-19-20(12-15)26-11-10-25-19/h1-2,4-5,7-8,12,18H,3,6,9-11,14H2/t18-/m0/s1