N-[4-(cyanomethyl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]isoquinoline-5-sulfonamide Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H13N3O2S/c18-10-8-13-4-6-15(7-5-13)20-23(21,22)17-3-1-2-14-12-19-11-9-16(14)17/h1-7,9,11-12,20H,8H2