(1S,2S)-2-[4-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[4-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-methoxy-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[4-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-[4-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-(4-methoxy-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3OC)C4CC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3OC)[C@H]4C[C@@H]4C(=O)O

InChI

InChI=1S/C20H19NO5S/c1-12-6-8-13(9-7-12)27(24,25)21-11-16(14-10-15(14)20(22)23)19-17(21)4-3-5-18(19)26-2/h3-9,11,14-15H,10H2,1-2H3,(H,22,23)/t14-,15-/m0/s1