4-[5-chloranyl-1-(3-propan-2-ylphenyl)sulfonyl-indol-2-yl]butanoic acid

Systemtic Name: 4-[5-chloranyl-1-(3-propan-2-ylphenyl)sulfonyl-indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-(3-isopropylphenyl)sulfonyl-indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-(3-propan-2-ylphenyl)sulfonyl-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-(3-propan-2-ylphenyl)sulfonylindol-2-yl]butanoic acid Traditional Name: 4-(5-chloro-1-m-cumenylsulfonyl-indol-2-yl)butyric acid Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)O

InChI

InChI=1S/C21H22ClNO4S/c1-14(2)15-5-3-7-19(13-15)28(26,27)23-18(6-4-8-21(24)25)12-16-11-17(22)9-10-20(16)23/h3,5,7,9-14H,4,6,8H2,1-2H3,(H,24,25)