N-(3-azanylpropyl)-4-methyl-N-(3-phenylpropyl)isoquinoline-5-sulfonamide hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCCN.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC=CC=C3)CCCN.Cl

InChI

InChI=1S/C22H27N3O2S.ClH/c1-18-16-24-17-20-11-5-12-21(22(18)20)28(26,27)25(15-7-13-23)14-6-10-19-8-3-2-4-9-19;/h2-5,8-9,11-12,16-17H,6-7,10,13-15,23H2,1H3;1H