methyl 3-nitro-5-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(1-piperidinylsulfonyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-piperidinosulfonylphenyl)carbamoyl]benzoic acid methyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-30-20(25)15-10-14(11-17(12-15)23(26)27)19(24)21-16-6-5-7-18(13-16)31(28,29)22-8-3-2-4-9-22/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,24)