methyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: methyl 4-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carboxylic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c1-17(2)19-6-4-5-7-21(19)33-22-10-8-18(16-20(22)27(30)31)9-11-23(28)25-12-14-26(15-13-25)24(29)32-3/h4-11,16-17H,12-15H2,1-3H3/b11-9+