ethyl 4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C14H18ClN3O6S MolecularWeight: 391.82722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H18ClN3O6S/c1-3-24-14(19)16-4-6-17(7-5-16)25(22,23)11-8-12(15)10(2)13(9-11)18(20)21/h8-9H,3-7H2,1-2H3