3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-oxomethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O6S/c1-28-18-5-3-16(31(22,26)27)13-17(18)21(25)24-8-6-23(7-9-24)14-15-2-4-19-20(12-15)30-11-10-29-19/h2-5,12-13H,6-11,14H2,1H3,(H2,22,26,27)