1-cyclopentyl-3-(4-methylpiperazin-1-yl)carbonyl-isoquinoline-7-sulfonamide dihydrochloride

Systemtic Name: 1-cyclopentyl-3-(4-methylpiperazin-1-yl)carbonyl-isoquinoline-7-sulfonamide dihydrochloride Openeye Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide dihydrochloride CAS Name: 1-cyclopentyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-7-isoquinolinesulfonamide dihydrochloride IUPAC Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide dihydrochloride Traditional Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide dihydrochloride Formula: C20H28Cl2N4O3S MolecularWeight: 475.43232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NC(=C3C=C(C=CC3=C2)S(=O)(=O)N)C4CCCC4.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NC(=C3C=C(C=CC3=C2)S(=O)(=O)N)C4CCCC4.Cl.Cl

InChI

InChI=1S/C20H26N4O3S.2ClH/c1-23-8-10-24(11-9-23)20(25)18-12-15-6-7-16(28(21,26)27)13-17(15)19(22-18)14-4-2-3-5-14;;/h6-7,12-14H,2-5,8-11H2,1H3,(H2,21,26,27);2*1H