3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylbenzonitrile Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O4S/c21-14-15-4-1-5-17(12-15)27(23,24)22-9-2-6-18(22)16-7-8-19-20(13-16)26-11-3-10-25-19/h1,4-5,7-8,12-13,18H,2-3,6,9-11H2/t18-/m1/s1