N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]-9H-xanthene-9-carboxamide Formula: C27H23NO4S2 MolecularWeight: 489.60582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CS5

InChI

InChI=1S/C27H23NO4S2/c1-18-12-14-19(15-13-18)34(30,31)25(24-11-6-16-33-24)17-28-27(29)26-20-7-2-4-9-22(20)32-23-10-5-3-8-21(23)26/h2-16,25-26H,17H2,1H3,(H,28,29)