N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(m-tolyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-(m-tolyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H26N2O5S/c1-19-5-4-8-22(15-19)28(18-26(29)27-12-11-20-6-2-3-7-21(20)17-27)34(30,31)23-9-10-24-25(16-23)33-14-13-32-24/h2-10,15-16H,11-14,17-18H2,1H3