4-[3,5-bis(chloranyl)phenoxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(chloranyl)phenoxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 4-(3,5-dichlorophenoxy)-3-[(4-pyrrolidin-1-yl-1-piperidyl)sulfonyl]benzonitrile CAS Name: 4-(3,5-dichlorophenoxy)-3-[[4-(1-pyrrolidinyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-(3,5-dichlorophenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 4-(3,5-dichlorophenoxy)-3-(4-pyrrolidinopiperidino)sulfonyl-benzonitrile Formula: C22H23Cl2N3O3S MolecularWeight: 480.40732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C#N)OC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C#N)OC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O3S/c23-17-12-18(24)14-20(13-17)30-21-4-3-16(15-25)11-22(21)31(28,29)27-9-5-19(6-10-27)26-7-1-2-8-26/h3-4,11-14,19H,1-2,5-10H2