N-[3-[(2-chlorophenyl)methylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[3-[(2-chlorophenyl)methylamino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[3-[(2-chlorophenyl)methylamino]-2-hydroxypropyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[3-[(2-chlorophenyl)methylamino]-2-hydroxypropyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[3-[(2-chlorobenzyl)amino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CNCC1=CC=CC=C1Cl)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(CNCC1=CC=CC=C1Cl)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H22ClN3O3S/c1-24(14-17(25)13-23-12-16-5-2-3-7-19(16)21)28(26,27)20-8-4-6-15-11-22-10-9-18(15)20/h2-11,17,23,25H,12-14H2,1H3