ethyl 3-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[4-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(1-piperidinylsulfonyl)anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(4-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=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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