4-morpholin-4-ylsulfonyl-2-nitro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[4-(1H-pyrazol-5-yl)benzyl]amine Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C4=CC=NN4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C4=CC=NN4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c26-25(27)20-13-17(31(28,29)24-9-11-30-12-10-24)5-6-19(20)21-14-15-1-3-16(4-2-15)18-7-8-22-23-18/h1-8,13,21H,9-12,14H2,(H,22,23)