N-[3-cyano-4-(quinolin-2-ylmethoxy)phenyl]butane-1-sulfonamide

Systemtic Name: N-[3-cyano-4-(quinolin-2-ylmethoxy)phenyl]butane-1-sulfonamide Openeye Name: N-[3-cyano-4-(2-quinolylmethoxy)phenyl]butane-1-sulfonamide CAS Name: N-[3-cyano-4-(2-quinolinylmethoxy)phenyl]-1-butanesulfonamide IUPAC Name: N-[3-cyano-4-(quinolin-2-ylmethoxy)phenyl]butane-1-sulfonamide Traditional Name: N-[3-cyano-4-(2-quinolylmethoxy)phenyl]butane-1-sulfonamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C#N

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C#N

InChI

InChI=1S/C21H21N3O3S/c1-2-3-12-28(25,26)24-18-10-11-21(17(13-18)14-22)27-15-19-9-8-16-6-4-5-7-20(16)23-19/h4-11,13,24H,2-3,12,15H2,1H3