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

Systemtic Name: methyl 1-ethanoyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxylate Openeye Name: methyl 1-acetyl-4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-2-carboxylate CAS Name: 1-acetyl-4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxylate Traditional Name: 1-acetyl-4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxylic acid methyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)C(=O)OC)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)C(=O)OC)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O6S/c1-16(2)20-8-6-7-9-23(20)36-24-11-10-19(14-21(24)29(33)34)17(3)25(31)27-12-13-28(18(4)30)22(15-27)26(32)35-5/h6-11,14,16,22H,3,12-13,15H2,1-2,4-5H3