(Z)-2-(4-bromophenyl)sulfonyl-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(phenylmethyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: (Z)-3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonyl-prop-2-enenitrile CAS Name: (Z)-2-(4-bromophenyl)sulfonyl-3-[4-(phenylmethyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-benzylpiperazin-1-yl)-2-(4-bromophenyl)sulfonylprop-2-enenitrile Traditional Name: (Z)-3-(4-benzylpiperazino)-2-brosyl-acrylonitrile Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)/C=C(/C#N)\S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-6-8-19(9-7-18)27(25,26)20(14-22)16-24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,16H,10-13,15H2/b20-16-