methyl 5-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pentanoate

Systemtic Name: methyl 5-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pentanoate Openeye Name: methyl 5-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]pentanoate CAS Name: 5-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]pentanoate Traditional Name: 5-(4-bromo-1-tosyl-indol-3-yl)valeric acid methyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCCCC(=O)OC

InChI

InChI=1S/C21H22BrNO4S/c1-15-10-12-17(13-11-15)28(25,26)23-14-16(6-3-4-9-20(24)27-2)21-18(22)7-5-8-19(21)23/h5,7-8,10-14H,3-4,6,9H2,1-2H3