N-tert-butyl-2-[4-[3-[(3-cyanophenyl)-(phenylmethyl)amino]prop-1-ynyl]phenyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-2-[4-[3-[(3-cyanophenyl)-(phenylmethyl)amino]prop-1-ynyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[3-(N-benzyl-3-cyano-anilino)prop-1-ynyl]phenyl]-N-tert-butyl-benzenesulfonamide CAS Name: N-tert-butyl-2-[4-[3-(3-cyano-N-(phenylmethyl)anilino)prop-1-ynyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[3-(N-benzyl-3-cyanoanilino)prop-1-ynyl]phenyl]-N-tert-butylbenzenesulfonamide Traditional Name: 2-[4-[3-(N-benzyl-3-cyano-anilino)prop-1-ynyl]phenyl]-N-tert-butyl-benzenesulfonamide Formula: C33H31N3O2S MolecularWeight: 533.68314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C#CCN(CC3=CC=CC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C#CCN(CC3=CC=CC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C33H31N3O2S/c1-33(2,3)35-39(37,38)32-17-8-7-16-31(32)29-20-18-26(19-21-29)14-10-22-36(25-27-11-5-4-6-12-27)30-15-9-13-28(23-30)24-34/h4-9,11-13,15-21,23,35H,22,25H2,1-3H3