N-[2-[(4-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(4-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(4-chlorophenyl)methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[(4-chlorobenzyl)amino]ethyl]isoquinoline-5-sulfonamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC3=CC=C(C=C3)Cl

InChI

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