methyl 4-[5-chloranyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-indol-2-yl]butanoate

Systemtic Name: methyl 4-[5-chloranyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-indol-2-yl]butanoate Openeye Name: methyl 4-[5-chloro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-indol-2-yl]butanoate CAS Name: 4-[5-chloro-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-2-indolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindol-2-yl]butanoate Traditional Name: 4-[5-chloro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-indol-2-yl]butyric acid methyl ester Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C=C2CCCC(=O)OC

InChI

InChI=1S/C19H22ClN3O4S/c1-12-19(13(2)22(3)21-12)28(25,26)23-16(6-5-7-18(24)27-4)11-14-10-15(20)8-9-17(14)23/h8-11H,5-7H2,1-4H3