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

Systemtic Name: N-(2-azanylethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCN

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCN

InChI

InChI=1S/C21H25N3O2S/c1-17-15-23-16-19-10-5-11-20(21(17)19)27(25,26)24(14-12-22)13-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-11,15-16H,6,9,12-14,22H2,1H3