4-[5-chloranyl-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]indol-2-yl]butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-(2,2-dimethylchroman-6-yl)sulfonyl-indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]indol-2-yl]butanoic acid Traditional Name: 4-[5-chloro-1-(2,2-dimethylchroman-6-yl)sulfonyl-indol-2-yl]butyric acid Formula: C23H24ClNO5S MolecularWeight: 461.95836

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)C

InChI

InChI=1S/C23H24ClNO5S/c1-23(2)11-10-15-14-19(7-9-21(15)30-23)31(28,29)25-18(4-3-5-22(26)27)13-16-12-17(24)6-8-20(16)25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,27)