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

Systemtic Name: 4-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O5S/c26-17-18-3-6-21(7-4-18)34(30,31)27-12-9-19(10-13-27)25(29)28-11-1-2-22(28)20-5-8-23-24(16-20)33-15-14-32-23/h3-8,16,19,22H,1-2,9-15H2/t22-/m1/s1