N-[3-(azepan-1-ylsulfonyl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C26H24N2O6S2 MolecularWeight: 524.60856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H24N2O6S2/c29-25-21-10-3-4-11-23(21)35(31,32)24-16-18(12-13-22(24)25)26(30)27-19-8-7-9-20(17-19)36(33,34)28-14-5-1-2-6-15-28/h3-4,7-13,16-17H,1-2,5-6,14-15H2,(H,27,30)