4-[[anthracen-9-yl-(4-chlorophenyl)sulfanyl-methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[anthracen-9-yl-(4-chlorophenyl)sulfanyl-methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[9-anthryl-(4-chlorophenyl)sulfanyl-methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[9-anthracenyl-[(4-chlorophenyl)thio]methyl]amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[anthracen-9-yl-(4-chlorophenyl)sulfanylmethyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[9-anthryl-[(4-chlorophenyl)thio]methyl]amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C31H23ClN4O2S2 MolecularWeight: 583.12292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)SC6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)SC6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H23ClN4O2S2/c32-23-10-14-25(15-11-23)39-30(29-27-8-3-1-6-21(27)20-22-7-2-4-9-28(22)29)35-24-12-16-26(17-13-24)40(37,38)36-31-33-18-5-19-34-31/h1-20,30,35H,(H,33,34,36)