N-(2-azanylethyl)-4-methyl-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-4-methyl-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-1-keto-4-methyl-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CCN

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CCN

InChI

InChI=1S/C21H25N3O3S/c1-16-15-23-21(25)18-10-5-11-19(20(16)18)28(26,27)24(14-12-22)13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15H,6,9,12-14,22H2,1H3,(H,23,25)