3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C16H18BrN5O6S MolecularWeight: 488.31302

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN5O6S/c17-14-11-20(19-16(14)22(24)25)6-5-15(23)18-12-1-3-13(4-2-12)29(26,27)21-7-9-28-10-8-21/h1-4,11H,5-10H2,(H,18,23)