4-(3,5-dimethylphenoxy)-3-piperazin-1-ylsulfonyl-benzenecarbonitrile

Systemtic Name: 4-(3,5-dimethylphenoxy)-3-piperazin-1-ylsulfonyl-benzenecarbonitrile Openeye Name: 4-(3,5-dimethylphenoxy)-3-piperazin-1-ylsulfonyl-benzonitrile CAS Name: 4-(3,5-dimethylphenoxy)-3-(1-piperazinylsulfonyl)benzonitrile IUPAC Name: 4-(3,5-dimethylphenoxy)-3-piperazin-1-ylsulfonylbenzonitrile Traditional Name: 4-(3,5-dimethylphenoxy)-3-piperazinosulfonyl-benzonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C#N)S(=O)(=O)N3CCNCC3)C

InChI

InChI=1S/C19H21N3O3S/c1-14-9-15(2)11-17(10-14)25-18-4-3-16(13-20)12-19(18)26(23,24)22-7-5-21-6-8-22/h3-4,9-12,21H,5-8H2,1-2H3