2-chloranyl-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzonitrile CAS Name: 2-chloro-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzonitrile IUPAC Name: 2-chloro-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzonitrile Traditional Name: 2-chloro-6-[4-(7,11-dioxa-3-azaspiro[5.5]undecan-3-ylsulfonyl)phenoxy]benzonitrile Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N)OC1

Isomeric SMILES

C1COC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N)OC1

InChI

InChI=1S/C21H21ClN2O5S/c22-19-3-1-4-20(18(19)15-23)29-16-5-7-17(8-6-16)30(25,26)24-11-9-21(10-12-24)27-13-2-14-28-21/h1,3-8H,2,9-14H2