N-(2-methyl-5-nitro-phenyl)-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-propylsulfonyl-nipecotamide Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O5S/c1-3-9-25(23,24)18-8-4-5-13(11-18)16(20)17-15-10-14(19(21)22)7-6-12(15)2/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,17,20)