4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]butyronitrile Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCCC#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCCC#N)Br

InChI

InChI=1S/C15H20BrN3O2S/c1-13-12-14(4-5-15(13)16)22(20,21)19-10-8-18(9-11-19)7-3-2-6-17/h4-5,12H,2-3,7-11H2,1H3