methyl 3-[5-methoxy-1-(3-methylphenyl)sulfonyl-indol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-1-(3-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-1-(m-tolylsulfonyl)indol-3-yl]propanoate CAS Name: 3-[5-methoxy-1-(3-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-1-(3-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: 3-[5-methoxy-1-(m-tolylsulfonyl)indol-3-yl]propionic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-14-5-4-6-17(11-14)27(23,24)21-13-15(7-10-20(22)26-3)18-12-16(25-2)8-9-19(18)21/h4-6,8-9,11-13H,7,10H2,1-3H3