2-[4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-benzenecarbonitrile Openeye Name: 2-[4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]sulfonyl-4-methyl-benzonitrile CAS Name: 2-[[4-[(4-bromophenyl)-phenylmethyl]-1-piperazinyl]sulfonyl]-4-methylbenzonitrile IUPAC Name: 2-[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-4-methylbenzonitrile Traditional Name: 2-[4-[(4-bromophenyl)-phenyl-methyl]piperazino]sulfonyl-4-methyl-benzonitrile Formula: C25H24BrN3O2S MolecularWeight: 510.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H24BrN3O2S/c1-19-7-8-22(18-27)24(17-19)32(30,31)29-15-13-28(14-16-29)25(20-5-3-2-4-6-20)21-9-11-23(26)12-10-21/h2-12,17,25H,13-16H2,1H3