N-(4-morpholin-4-ylsulfonylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-morpholinosulfonylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-morpholinosulfonylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c27-21(18-9-10-24(23-18)15-33-20-4-2-1-3-19(20)26(28)29)22-16-5-7-17(8-6-16)34(30,31)25-11-13-32-14-12-25/h1-10H,11-15H2,(H,22,27)