2-(2,6-dimethylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonylisonipecotic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O7S/c1-16-5-4-6-17(2)22(16)32-13-14-33-23(27)18-9-11-25(12-10-18)34(30,31)19-7-8-20(24-3)21(15-19)26(28)29/h4-8,15,18,24H,9-14H2,1-3H3