N-(5-morpholin-4-ylsulfonyl-2-phenoxy-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-phenoxy-phenyl)-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-(5-morpholinosulfonyl-2-phenoxy-phenyl)-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-phenoxyphenyl]-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-(5-morpholinosulfonyl-2-phenoxy-phenyl)-2-(3-nitropyrazol-1-yl)acetamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=O)CN4C=CC(=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=O)CN4C=CC(=N4)[N+](=O)[O-]

InChI

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