N-(3-azanylpropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-(3-azanylpropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(3-aminopropyl)-N-(4-phenylbutyl)-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide hydrochloride Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S.ClH/c23-14-7-17-25(16-5-4-10-19-8-2-1-3-9-19)28(26,27)22-12-6-11-20-18-24-15-13-21(20)22;/h1-3,6,8-9,11-13,15,18H,4-5,7,10,14,16-17,23H2;1H