N-methyl-N-[1-(3-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[1-(3-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[1-(m-tolylsulfonyl)-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[1-(3-methylphenyl)sulfonyl-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[1-(3-methylphenyl)sulfonyl-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-1-(m-tolylsulfonyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C=O)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C=O)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H18N2O5S2/c1-14-5-3-7-16(11-14)27(23,24)19(13-22)21(2)28(25,26)18-8-4-6-15-12-20-10-9-17(15)18/h3-13,19H,1-2H3