methyl 3-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1-methylsulfonyl-4-piperidyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1-methylsulfonyl-4-piperidinyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-mesyl-4-piperidyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O7S/c1-25-15(20)11-7-10(8-13(9-11)18(21)22)14(19)16-12-3-5-17(6-4-12)26(2,23)24/h7-9,12H,3-6H2,1-2H3,(H,16,19)