N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-methyl-5-nitro-imidazol-4-amine

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-methyl-5-nitro-imidazol-4-amine Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-methyl-5-nitro-imidazol-4-amine CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-methyl-5-nitro-4-imidazolamine IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methyl-5-nitroimidazol-4-amine Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S/c1-19-11-17-15(21(22)23)16(19)18-12-6-7-13(26-2)14(10-12)27(24,25)20-8-4-3-5-9-20/h6-7,10-11,18H,3-5,8-9H2,1-2H3