N-[2-[(3-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(3-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(3-chlorophenyl)methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(3-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[(3-chlorobenzyl)amino]ethyl]isoquinoline-5-sulfonamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H18ClN3O2S/c19-16-5-1-3-14(11-16)12-21-9-10-22-25(23,24)18-6-2-4-15-13-20-8-7-17(15)18/h1-8,11,13,21-22H,9-10,12H2