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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O6S/c1-29-15-5-7-16(8-6-15)30(27,28)22-10-2-3-13(12-22)19(24)21-18-11-14(23(25)26)4-9-17(18)20/h4-9,11,13H,2-3,10,12H2,1H3,(H,21,24)