4-morpholin-4-ylsulfonyl-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[2-(pyrazol-1-ylmethyl)benzyl]amine Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c27-26(28)21-14-19(32(29,30)25-10-12-31-13-11-25)6-7-20(21)22-15-17-4-1-2-5-18(17)16-24-9-3-8-23-24/h1-9,14,22H,10-13,15-16H2