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

Systemtic Name: 1-cyclopentyl-3-(4-methylpiperazin-1-yl)carbonyl-isoquinoline-7-sulfonamide Openeye Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide CAS Name: 1-cyclopentyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-7-isoquinolinesulfonamide IUPAC Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide Traditional Name: 1-cyclopentyl-3-(4-methylpiperazine-1-carbonyl)isoquinoline-7-sulfonamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/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)