N-(4-butyl-2-methyl-phenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-butyl-2-methyl-phenyl)isoquinoline-5-sulfonamide CAS Name: N-(4-butyl-2-methylphenyl)-5-isoquinolinesulfonamide IUPAC Name: N-(4-butyl-2-methylphenyl)isoquinoline-5-sulfonamide Traditional Name: N-(4-butyl-2-methyl-phenyl)isoquinoline-5-sulfonamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

InChI

InChI=1S/C20H22N2O2S/c1-3-4-6-16-9-10-19(15(2)13-16)22-25(23,24)20-8-5-7-17-14-21-12-11-18(17)20/h5,7-14,22H,3-4,6H2,1-2H3