2-(3-methylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonylisonipecotic acid 2-(3-methylphenoxy)ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-16-4-3-5-18(14-16)31-12-13-32-22(26)17-8-10-24(11-9-17)33(29,30)19-6-7-20(23-2)21(15-19)25(27)28/h3-7,14-15,17,23H,8-13H2,1-2H3