3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonyl-pyrrolidine-2,5-dione Openeye Name: 3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonyl-pyrrolidine-2,5-dione CAS Name: 3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonylpyrrolidine-2,5-dione IUPAC Name: 3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonylpyrrolidine-2,5-dione Traditional Name: 3-[5-(4-chlorophenyl)pent-4-ynyl]-3-(4-methoxyphenyl)sulfonyl-pyrrolidine-2,5-quinone Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CC(=O)NC2=O)CCCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CC(=O)NC2=O)CCCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO5S/c1-29-18-10-12-19(13-11-18)30(27,28)22(15-20(25)24-21(22)26)14-4-2-3-5-16-6-8-17(23)9-7-16/h6-13H,2,4,14-15H2,1H3,(H,24,25,26)