3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)C)C(C)(C)C

InChI

InChI=1S/C24H29N3O3S/c1-17-13-21(24(3,4)5)14-18(2)22(17)31(29,30)27-11-9-26(10-12-27)23(28)20-8-6-7-19(15-20)16-25/h6-8,13-15H,9-12H2,1-5H3