1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C19H20ClN3O5S2 MolecularWeight: 469.9622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O5S2/c1-29-16-4-2-3-14(11-16)21-19(24)13-7-9-22(10-8-13)30(27,28)18-12-15(23(25)26)5-6-17(18)20/h2-6,11-13H,7-10H2,1H3,(H,21,24)