4-butyl-N,N-bis(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 4-butyl-N,N-bis(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 4-butyl-N,N-bis(3-pyridylmethyl)benzenesulfonamide CAS Name: 4-butyl-N,N-bis(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-butyl-N,N-bis(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 4-butyl-N,N-bis(3-pyridylmethyl)benzenesulfonamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-2-3-6-19-9-11-22(12-10-19)28(26,27)25(17-20-7-4-13-23-15-20)18-21-8-5-14-24-16-21/h4-5,7-16H,2-3,6,17-18H2,1H3