methyl 4-[1-(4-methylphenyl)sulfonylindol-2-yl]butanoate

Systemtic Name: methyl 4-[1-(4-methylphenyl)sulfonylindol-2-yl]butanoate Openeye Name: methyl 4-[1-(p-tolylsulfonyl)indol-2-yl]butanoate CAS Name: 4-[1-(4-methylphenyl)sulfonyl-2-indolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-methylphenyl)sulfonylindol-2-yl]butanoate Traditional Name: 4-(1-tosylindol-2-yl)butyric acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CCCC(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-15-10-12-18(13-11-15)26(23,24)21-17(7-5-9-20(22)25-2)14-16-6-3-4-8-19(16)21/h3-4,6,8,10-14H,5,7,9H2,1-2H3