N'-[2-[(2-butyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chloranyl-phenyl]sulfonyl-4-methyl-pentanehydrazide

Systemtic Name: N'-[2-[(2-butyl-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chloranyl-phenyl]sulfonyl-4-methyl-pentanehydrazide Openeye Name: N'-[2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chloro-phenyl]sulfonyl-4-methyl-pentanehydrazide CAS Name: N'-[2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chlorophenyl]sulfonyl-4-methylpentanehydrazide IUPAC Name: N'-[2-[(2-butyl-1-oxo-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chlorophenyl]sulfonyl-4-methylpentanehydrazide Traditional Name: N'-[2-[(2-butyl-1-keto-3,4-dihydroisoquinolin-6-yl)methylamino]-4-chloro-phenyl]sulfonyl-4-methyl-valerohydrazide Formula: C26H35ClN4O4S MolecularWeight: 535.0985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)C=CC(=C2)CNC3=C(C=CC(=C3)Cl)S(=O)(=O)NNC(=O)CCC(C)C

Isomeric SMILES

CCCCN1CCC2=C(C1=O)C=CC(=C2)CNC3=C(C=CC(=C3)Cl)S(=O)(=O)NNC(=O)CCC(C)C

InChI

InChI=1S/C26H35ClN4O4S/c1-4-5-13-31-14-12-20-15-19(7-9-22(20)26(31)33)17-28-23-16-21(27)8-10-24(23)36(34,35)30-29-25(32)11-6-18(2)3/h7-10,15-16,18,28,30H,4-6,11-14,17H2,1-3H3,(H,29,32)