1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(4-bromanyl-2-ethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-phenyl-isonipecotonitrile Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O2S/c1-2-16-14-18(21)8-9-19(16)26(24,25)23-12-10-20(15-22,11-13-23)17-6-4-3-5-7-17/h3-9,14H,2,10-13H2,1H3