3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonylbenzonitrile Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H18N2O4S/c20-13-14-3-1-4-16(11-14)26(22,23)21-8-2-5-17(21)15-6-7-18-19(12-15)25-10-9-24-18/h1,3-4,6-7,11-12,17H,2,5,8-10H2