N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyramide Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F)OCO2

InChI

InChI=1S/C20H21FN2O6S/c1-13(24)16-10-18-19(29-12-28-18)11-17(16)22-20(25)4-3-9-23(2)30(26,27)15-7-5-14(21)6-8-15/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,25)