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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-piperonyl-butyramide Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O5S/c1-22(28(24,25)16-7-5-15(20)6-8-16)10-2-3-19(23)21-12-14-4-9-17-18(11-14)27-13-26-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,21,23)