N-[3-[(2,4-dichlorophenyl)methylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[(2,4-dichlorophenyl)methylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[3-[(2,4-dichlorophenyl)methylamino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[3-[(2,4-dichlorophenyl)methylamino]-2-hydroxypropyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[3-[(2,4-dichlorophenyl)methylamino]-2-hydroxypropyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[3-[(2,4-dichlorobenzyl)amino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CNCC1=C(C=C(C=C1)Cl)Cl)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(CNCC1=C(C=C(C=C1)Cl)Cl)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21Cl2N3O3S/c1-25(13-17(26)12-24-11-15-5-6-16(21)9-19(15)22)29(27,28)20-4-2-3-14-10-23-8-7-18(14)20/h2-10,17,24,26H,11-13H2,1H3