N-[4-[4-[6-[(phenylmethyl)amino]hexoxy]but-1-ynyl]phenyl]butane-1-sulfonamide

Systemtic Name: N-[4-[4-[6-[(phenylmethyl)amino]hexoxy]but-1-ynyl]phenyl]butane-1-sulfonamide Openeye Name: N-[4-[4-[6-(benzylamino)hexoxy]but-1-ynyl]phenyl]butane-1-sulfonamide CAS Name: N-[4-[4-[6-[(phenylmethyl)amino]hexoxy]but-1-ynyl]phenyl]-1-butanesulfonamide IUPAC Name: N-[4-[4-[6-(benzylamino)hexoxy]but-1-ynyl]phenyl]butane-1-sulfonamide Traditional Name: N-[4-[4-[6-(benzylamino)hexoxy]but-1-ynyl]phenyl]butane-1-sulfonamide Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=C(C=C1)C#CCCOCCCCCCNCC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=C(C=C1)C#CCCOCCCCCCNCC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O3S/c1-2-3-23-33(30,31)29-27-18-16-25(17-19-27)13-9-12-22-32-21-11-5-4-10-20-28-24-26-14-7-6-8-15-26/h6-8,14-19,28-29H,2-5,10-12,20-24H2,1H3