tert-butyl 2-morpholin-4-ylcarbonyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-morpholin-4-ylcarbonyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-2-(morpholine-4-carbonyl)piperazine-1-carboxylate CAS Name: 2-[4-morpholinyl(oxo)methyl]-4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(morpholine-4-carbonyl)-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 2-(morpholine-4-carbonyl)-4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H40N4O7S MolecularWeight: 624.7476

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(C(C3)C(=O)N4CCOCC4)C(=O)OC(C)(C)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)N4CCOCC4)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C32H40N4O7S/c1-21(2)24-9-7-8-10-27(24)44-28-12-11-23(19-25(28)36(40)41)22(3)29(37)34-13-14-35(31(39)43-32(4,5)6)26(20-34)30(38)33-15-17-42-18-16-33/h7-12,19,21,26H,3,13-18,20H2,1-2,4-6H3