N-butyl-4-methyl-N-[3-[phenyl(phenylsulfonyl)amino]prop-1-ynyl]benzenesulfonamide

Systemtic Name: N-butyl-4-methyl-N-[3-[phenyl(phenylsulfonyl)amino]prop-1-ynyl]benzenesulfonamide Openeye Name: N-[3-[N-(benzenesulfonyl)anilino]prop-1-ynyl]-N-butyl-4-methyl-benzenesulfonamide CAS Name: N-[3-[N-(benzenesulfonyl)anilino]prop-1-ynyl]-N-butyl-4-methylbenzenesulfonamide IUPAC Name: N-[3-[N-(benzenesulfonyl)anilino]prop-1-ynyl]-N-butyl-4-methylbenzenesulfonamide Traditional Name: N-[3-(N-besylanilino)prop-1-ynyl]-N-butyl-4-methyl-benzenesulfonamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C#CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(C#CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28N2O4S2/c1-3-4-20-27(33(29,30)26-18-16-23(2)17-19-26)21-11-22-28(24-12-7-5-8-13-24)34(31,32)25-14-9-6-10-15-25/h5-10,12-19H,3-4,20,22H2,1-2H3