methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate

Systemtic Name: methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate Openeye Name: methyl 4-[3-methylene-1-(p-tolylsulfonyl)indolin-2-yl]butanoate CAS Name: 4-[3-methylene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate Traditional Name: 4-(3-methylene-1-tosyl-indolin-2-yl)butyric acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C)C3=CC=CC=C32)CCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C)C3=CC=CC=C32)CCCC(=O)OC

InChI

InChI=1S/C21H23NO4S/c1-15-11-13-17(14-12-15)27(24,25)22-19(9-6-10-21(23)26-3)16(2)18-7-4-5-8-20(18)22/h4-5,7-8,11-14,19H,2,6,9-10H2,1,3H3