4-isocyanato-N-pyren-1-yl-benzenesulfonamide

Systemtic Name: 4-isocyanato-N-pyren-1-yl-benzenesulfonamide Openeye Name: 4-isocyanato-N-pyren-1-yl-benzenesulfonamide CAS Name: 4-isocyanato-N-(1-pyrenyl)benzenesulfonamide IUPAC Name: 4-isocyanato-N-pyren-1-ylbenzenesulfonamide Traditional Name: 4-isocyanato-N-pyren-1-yl-benzenesulfonamide Formula: C23H14N2O3S MolecularWeight: 398.43386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NS(=O)(=O)C5=CC=C(C=C5)N=C=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NS(=O)(=O)C5=CC=C(C=C5)N=C=O

InChI

InChI=1S/C23H14N2O3S/c26-14-24-18-8-10-19(11-9-18)29(27,28)25-21-13-7-17-5-4-15-2-1-3-16-6-12-20(21)23(17)22(15)16/h1-13,25H