N-methyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide Openeye Name: N-methyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: N-methyl-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxamide Traditional Name: N-methyl-1-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]isonipecotamide Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5S/c1-19-18(24)14-5-7-21(8-6-14)16-4-3-15(13-17(16)23(25)26)29(27,28)22-11-9-20(2)10-12-22/h3-4,13-14H,5-12H2,1-2H3,(H,19,24)