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

Systemtic Name: ethyl 3-nitro-5-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[3-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(1-piperidinylsulfonyl)anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(3-piperidinosulfonylphenyl)carbamoyl]benzoic acid ethyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-2-31-21(26)16-11-15(12-18(13-16)24(27)28)20(25)22-17-7-6-8-19(14-17)32(29,30)23-9-4-3-5-10-23/h6-8,11-14H,2-5,9-10H2,1H3,(H,22,25)