ethyl 4-[[4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(4-methoxyphenyl)sulfanyl-3-nitro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(4-methoxyphenyl)thio]-3-nitrophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methoxyphenyl)sulfanyl-3-nitrobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(4-methoxyphenyl)thio]-3-nitro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-3-31-22(27)24-12-10-16(11-13-24)23-21(26)15-4-9-20(19(14-15)25(28)29)32-18-7-5-17(30-2)6-8-18/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,26)