2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(4-brosylpiperazino)-4,6-dimethyl-nicotinonitrile Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H19BrN4O2S/c1-13-11-14(2)21-18(17(13)12-20)22-7-9-23(10-8-22)26(24,25)16-5-3-15(19)4-6-16/h3-6,11H,7-10H2,1-2H3