methyl 3-nitro-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate Traditional Name: 3-nitro-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S2/c1-27-17(22)13-9-12(10-14(11-13)20(23)24)16(21)18-4-6-19(7-5-18)29(25,26)15-3-2-8-28-15/h2-3,8-11H,4-7H2,1H3