1-(4-methylsulfonyl-2-nitro-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-(4-mesyl-2-nitro-phenyl)piperazine Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-28(26,27)18-9-10-19(20(16-18)23(24)25)22-14-12-21(13-15-22)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+