[1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidin-3-yl]methyl ethanoate

Systemtic Name: [1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidin-3-yl]methyl ethanoate Openeye Name: [4-hydroxy-1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-3-piperidyl]methyl acetate CAS Name: acetic acid [4-hydroxy-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinyl]methyl ester IUPAC Name: [4-hydroxy-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidin-3-yl]methyl acetate Traditional Name: acetic acid [4-hydroxy-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]-3-piperidyl]methyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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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)N3CCC(C(C3)COC(=O)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)COC(=O)C)O)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O6S/c1-16(2)21-7-5-6-8-24(21)35-25-10-9-19(13-22(25)28(32)33)17(3)26(31)27-12-11-23(30)20(14-27)15-34-18(4)29/h5-10,13,16,20,23,30H,3,11-12,14-15H2,1-2,4H3