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

Systemtic Name: N-tert-butyl-2-[4-[3-[(3-cyanophenyl)amino]prop-1-ynyl]phenyl]benzenesulfonamide Openeye Name: N-tert-butyl-2-[4-[3-(3-cyanoanilino)prop-1-ynyl]phenyl]benzenesulfonamide CAS Name: N-tert-butyl-2-[4-[3-(3-cyanoanilino)prop-1-ynyl]phenyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-[4-[3-(3-cyanoanilino)prop-1-ynyl]phenyl]benzenesulfonamide Traditional Name: N-tert-butyl-2-[4-[3-(3-cyanoanilino)prop-1-ynyl]phenyl]benzenesulfonamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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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#CCNC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C#CCNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H25N3O2S/c1-26(2,3)29-32(30,31)25-12-5-4-11-24(25)22-15-13-20(14-16-22)9-7-17-28-23-10-6-8-21(18-23)19-27/h4-6,8,10-16,18,28-29H,17H2,1-3H3