N-(4-bromanyl-3-methyl-phenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCC4)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-14-11-15(5-7-17(14)22)23-30(26,27)16-6-8-18-19(12-16)28-13-20(29-18)21(25)24-9-3-2-4-10-24/h5-8,11-12,20,23H,2-4,9-10,13H2,1H3