ethyl 3-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methoxy-5-piperidinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O8S/c1-3-33-22(27)16-11-15(12-17(13-16)25(28)29)21(26)23-19-14-18(7-8-20(19)32-2)34(30,31)24-9-5-4-6-10-24/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,26)