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

Systemtic Name: 4-[5-chloranyl-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]indol-2-yl]butanoic acid Traditional Name: 4-[5-chloro-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]indol-2-yl]butyric acid Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

InChI

InChI=1S/C20H17ClN2O4S2/c1-12-22-17-7-6-16(11-19(17)28-12)29(26,27)23-15(3-2-4-20(24)25)10-13-9-14(21)5-8-18(13)23/h5-11H,2-4H2,1H3,(H,24,25)