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

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazine Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4S/c28-27(29)23-19-21(32(30,31)26-13-4-5-14-26)10-11-22(23)25-17-15-24(16-18-25)12-6-9-20-7-2-1-3-8-20/h1-3,6-11,19H,4-5,12-18H2/b9-6+