N-[(3-methylphenyl)methyl]-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(3-methylphenyl)methyl]-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(m-tolylmethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(3-methylphenyl)methyl]-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(3-methylphenyl)methyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(3-methylbenzyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-6-5-7-17(12-16)14-23-30(26,27)18-8-9-19-20(13-18)28-15-21(29-19)22(25)24-10-3-2-4-11-24/h5-9,12-13,21,23H,2-4,10-11,14-15H2,1H3