2-ethoxyethyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: 2-ethoxyethyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: 2-ethoxyethyl 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid 2-ethoxyethyl ester Formula: C20H29N3O8S MolecularWeight: 471.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOCCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O8S/c1-2-29-13-14-31-20(24)16-5-7-21(8-6-16)18-4-3-17(15-19(18)23(25)26)32(27,28)22-9-11-30-12-10-22/h3-4,15-16H,2,5-14H2,1H3