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

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-16-15-24-21(23)18-10-5-11-19(20(16)18)28(26,27)25(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,(H2,23,24)