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

Systemtic Name: N-(3-azanylpropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-[3-(3-methylsulfonylphenyl)propyl]isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-[3-(3-mesylphenyl)propyl]isoquinoline-5-sulfonamide hydrochloride Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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