4-(2-methyl-5-nitro-phenyl)sulfonyl-N-pentyl-piperazine-1-carboxamide

Systemtic Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-pentyl-piperazine-1-carboxamide Openeye Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-pentyl-piperazine-1-carboxamide CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-pentyl-1-piperazinecarboxamide IUPAC Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-pentylpiperazine-1-carboxamide Traditional Name: N-amyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-3-4-5-8-18-17(22)19-9-11-20(12-10-19)27(25,26)16-13-15(21(23)24)7-6-14(16)2/h6-7,13H,3-5,8-12H2,1-2H3,(H,18,22)