N-[2-azanyl-3-(1-cyanobutan-2-yl)-4-methoxy-phenyl]methanesulfonamide

Systemtic Name: N-[2-azanyl-3-(1-cyanobutan-2-yl)-4-methoxy-phenyl]methanesulfonamide Openeye Name: N-[2-amino-3-[1-(cyanomethyl)propyl]-4-methoxy-phenyl]methanesulfonamide CAS Name: N-[2-amino-3-(1-cyanobutan-2-yl)-4-methoxyphenyl]methanesulfonamide IUPAC Name: N-[2-amino-3-(1-cyanobutan-2-yl)-4-methoxyphenyl]methanesulfonamide Traditional Name: N-[2-amino-3-[1-(cyanomethyl)propyl]-4-methoxy-phenyl]methanesulfonamide Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)C1=C(C=CC(=C1N)NS(=O)(=O)C)OC

Isomeric SMILES

CCC(CC#N)C1=C(C=CC(=C1N)NS(=O)(=O)C)OC

InChI

InChI=1S/C13H19N3O3S/c1-4-9(7-8-14)12-11(19-2)6-5-10(13(12)15)16-20(3,17)18/h5-6,9,16H,4,7,15H2,1-3H3