3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H22N4O8S/c26-21(23-22-13-16-11-19-20(33-14-32-19)12-18(16)25(27)28)6-3-15-1-4-17(5-2-15)34(29,30)24-7-9-31-10-8-24/h1-2,4-5,11-13H,3,6-10,14H2,(H,23,26)/b22-13+