N-[2-butyl-4-[(4-chlorophenyl)methylsulfinyl]-3-methyl-6-phenyl-phenyl]sulfonylbenzamide

Systemtic Name: N-[2-butyl-4-[(4-chlorophenyl)methylsulfinyl]-3-methyl-6-phenyl-phenyl]sulfonylbenzamide Openeye Name: N-[2-butyl-4-[(4-chlorophenyl)methylsulfinyl]-3-methyl-6-phenyl-phenyl]sulfonylbenzamide CAS Name: N-[2-butyl-4-[(4-chlorophenyl)methylsulfinyl]-3-methyl-6-phenylphenyl]sulfonylbenzamide IUPAC Name: N-[2-butyl-4-[(4-chlorophenyl)methylsulfinyl]-3-methyl-6-phenylphenyl]sulfonylbenzamide Traditional Name: N-[2-butyl-4-(4-chlorobenzyl)sulfinyl-3-methyl-6-phenyl-phenyl]sulfonylbenzamide Formula: C31H30ClNO4S2 MolecularWeight: 580.1572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1C)S(=O)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=CC(=C1C)S(=O)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H30ClNO4S2/c1-3-4-15-27-22(2)29(38(35)21-23-16-18-26(32)19-17-23)20-28(24-11-7-5-8-12-24)30(27)39(36,37)33-31(34)25-13-9-6-10-14-25/h5-14,16-20H,3-4,15,21H2,1-2H3,(H,33,34)