N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propionamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O5S/c1-15(21(26)23-17-5-8-19-20(13-17)30-14-29-19)24-9-2-10-25(12-11-24)31(27,28)18-6-3-16(22)4-7-18/h3-8,13,15H,2,9-12,14H2,1H3,(H,23,26)