ethyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S/c1-2-30-21(27)24-11-9-15(10-12-24)23-20(26)18-13-16(25(28)29)5-8-19(18)31-17-6-3-14(22)4-7-17/h3-8,13,15H,2,9-12H2,1H3,(H,23,26)