ethyl 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-chloro-3-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-chloro-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-piperidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-chloro-3-piperidinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O7S/c1-2-32-21(27)15-10-14(11-17(12-15)25(28)29)20(26)23-16-6-7-18(22)19(13-16)33(30,31)24-8-4-3-5-9-24/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,26)