1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-morpholinosulfonylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(4-morpholinylsulfonyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-morpholinosulfonylphenyl)pyrazole-3-carboxamide Formula: C21H20ClN5O7S MolecularWeight: 521.9308

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O7S/c22-18-13-16(27(29)30)3-6-20(18)34-14-25-8-7-19(24-25)21(28)23-15-1-4-17(5-2-15)35(31,32)26-9-11-33-12-10-26/h1-8,13H,9-12,14H2,(H,23,28)