N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-morpholinosulfonyl-benzamide CAS Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-morpholinosulfonyl-benzamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N/NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/CCC3=CC4=C(C=C3)OCO4

InChI

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