4-[1-(4-chlorophenyl)carbonyl-2-methyl-5-sulfo-indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)carbonyl-2-methyl-5-sulfo-indol-3-yl]butanoic acid Openeye Name: 4-[1-(4-chlorobenzoyl)-2-methyl-5-sulfo-indol-3-yl]butanoic acid CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-2-methyl-5-sulfo-3-indolyl]butanoic acid IUPAC Name: 4-[1-(4-chlorobenzoyl)-2-methyl-5-sulfoindol-3-yl]butanoic acid Traditional Name: 4-[1-(4-chlorobenzoyl)-2-methyl-5-sulfo-indol-3-yl]butyric acid Formula: C20H18ClNO6S MolecularWeight: 435.87802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)O)CCCC(=O)O

InChI

InChI=1S/C20H18ClNO6S/c1-12-16(3-2-4-19(23)24)17-11-15(29(26,27)28)9-10-18(17)22(12)20(25)13-5-7-14(21)8-6-13/h5-11H,2-4H2,1H3,(H,23,24)(H,26,27,28)