methyl 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-30-20(25)15-5-3-14(4-6-15)19(24)22-11-9-21(10-12-22)17-8-7-16(31(2,28)29)13-18(17)23(26)27/h3-8,13H,9-12H2,1-2H3