N-(3-morpholin-4-ylsulfonylphenyl)-2,4-dinitro-benzamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2,4-dinitro-benzamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2,4-dinitro-benzamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2,4-dinitrobenzamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2,4-dinitrobenzamide Traditional Name: N-(3-morpholinosulfonylphenyl)-2,4-dinitro-benzamide Formula: C17H16N4O8S MolecularWeight: 436.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O8S/c22-17(15-5-4-13(20(23)24)11-16(15)21(25)26)18-12-2-1-3-14(10-12)30(27,28)19-6-8-29-9-7-19/h1-5,10-11H,6-9H2,(H,18,22)