3-[5-chloranyl-1-(4-methylnaphthalen-1-yl)sulfonyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-chloranyl-1-(4-methylnaphthalen-1-yl)sulfonyl-indol-2-yl]propanoic acid Openeye Name: 3-[5-chloro-1-[(4-methyl-1-naphthyl)sulfonyl]indol-2-yl]propanoic acid CAS Name: 3-[5-chloro-1-[(4-methyl-1-naphthalenyl)sulfonyl]-2-indolyl]propanoic acid IUPAC Name: 3-[5-chloro-1-(4-methylnaphthalen-1-yl)sulfonylindol-2-yl]propanoic acid Traditional Name: 3-[5-chloro-1-[(4-methyl-1-naphthyl)sulfonyl]indol-2-yl]propionic acid Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCC(=O)O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCC(=O)O

InChI

InChI=1S/C22H18ClNO4S/c1-14-6-10-21(19-5-3-2-4-18(14)19)29(27,28)24-17(8-11-22(25)26)13-15-12-16(23)7-9-20(15)24/h2-7,9-10,12-13H,8,11H2,1H3,(H,25,26)