1-[2-methoxy-5-(4-nitrophenyl)carbonyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-methoxy-5-(4-nitrophenyl)carbonyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[2-methoxy-5-[(4-nitrophenyl)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylisonipecotic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H20N2O8S/c1-30-17-7-4-15(19(23)13-2-5-16(6-3-13)22(26)27)12-18(17)31(28,29)21-10-8-14(9-11-21)20(24)25/h2-7,12,14H,8-11H2,1H3,(H,24,25)