N-(3-azanylpropyl)-N-[3-(2-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-N-[3-(2-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[3-(2-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-[3-(2-methylsulfonylphenyl)propyl]-5-isoquinolinesulfonamide IUPAC Name: N-(3-aminopropyl)-N-[3-(2-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-[3-(2-mesylphenyl)propyl]isoquinoline-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H27N3O4S2/c1-30(26,27)21-10-3-2-7-18(21)9-5-15-25(16-6-13-23)31(28,29)22-11-4-8-19-17-24-14-12-20(19)22/h2-4,7-8,10-12,14,17H,5-6,9,13,15-16,23H2,1H3