N-[(4-cyanophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(4-cyanophenyl)methyl]-N-isopentyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(4-cyanophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(4-cyanophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-cyanobenzyl)-N-isoamyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O4S/c1-16(2)9-10-23(15-18-5-3-17(14-22)4-6-18)28(24,25)19-7-8-20-21(13-19)27-12-11-26-20/h3-8,13,16H,9-12,15H2,1-2H3