N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butyramide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N(C)CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N(C)CC1COC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O5S/c1-23(14-17-15-28-19-6-3-4-7-20(19)29-17)21(25)8-5-13-24(2)30(26,27)18-11-9-16(22)10-12-18/h3-4,6-7,9-12,17H,5,8,13-15H2,1-2H3