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

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O6S/c1-16(18-5-8-20-21(14-18)31-15-30-20)23-24-22(26)9-4-17-2-6-19(7-3-17)32(27,28)25-10-12-29-13-11-25/h2-3,5-8,14H,4,9-13,15H2,1H3,(H,24,26)/b23-16+