N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: methyl-[(1-methylpyrazol-4-yl)methyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S/c1-18(11-13-10-17-19(2)12-13)15-4-3-14(9-16(15)21(22)23)27(24,25)20-5-7-26-8-6-20/h3-4,9-10,12H,5-8,11H2,1-2H3