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

Systemtic Name: N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]aniline Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-methyl-2-(4-morpholinylsulfonyl)-4-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]aniline IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (1-benzylpyrazol-4-yl)methyl-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N5O5S/c1-24(15-19-14-23-25(17-19)16-18-5-3-2-4-6-18)21-8-7-20(27(28)29)13-22(21)33(30,31)26-9-11-32-12-10-26/h2-8,13-14,17H,9-12,15-16H2,1H3