N-(3-ethoxypropyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-ethoxypropyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(3-ethoxypropyl)-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-ethoxypropyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O6S/c1-3-27-12-4-7-18-17(22)19-8-10-20(11-9-19)28(25,26)16-13-15(21(23)24)6-5-14(16)2/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,22)