(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6S/c1-25(2,3)22(29)16-34-24(31)20-6-4-5-7-21(20)35-17-23(30)27-14-12-26(13-15-27)18-8-10-19(11-9-18)28(32)33/h4-11H,12-17H2,1-3H3