dimethyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate

Systemtic Name: dimethyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Openeye Name: dimethyl 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate CAS Name: 4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]piperazine-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1,3-dicarboxylate Traditional Name: 4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1,3-dicarboxylic acid dimethyl ester Formula: C26H29N3O7S MolecularWeight: 527.58936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O7S/c1-16(2)19-8-6-7-9-22(19)37-23-11-10-18(14-20(23)29(33)34)17(3)24(30)28-13-12-27(26(32)36-5)15-21(28)25(31)35-4/h6-11,14,16,21H,3,12-13,15H2,1-2,4-5H3