N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN3O5S/c21-16-2-4-17(5-3-16)30(26,27)24-9-7-23(8-10-24)20(25)22-14-15-1-6-18-19(13-15)29-12-11-28-18/h1-6,13H,7-12,14H2,(H,22,25)