(Z)-2-(4-bromophenyl)sulfonyl-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]prop-2-enenitrile CAS Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]prop-2-enenitrile Traditional Name: (Z)-2-brosyl-3-[4-(5-chloro-2-methyl-phenyl)piperazino]acrylonitrile Formula: C20H19BrClN3O2S MolecularWeight: 480.80576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)/C=C(/C#N)\S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrClN3O2S/c1-15-2-5-17(22)12-20(15)25-10-8-24(9-11-25)14-19(13-23)28(26,27)18-6-3-16(21)4-7-18/h2-7,12,14H,8-11H2,1H3/b19-14-