(1S,2R)-1-methoxycarbonyl-2-[1-(phenylsulfonyl)indol-3-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2R)-1-methoxycarbonyl-2-[1-(phenylsulfonyl)indol-3-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2R)-2-[1-(benzenesulfonyl)indol-3-yl]-1-methoxycarbonyl-cyclopropanecarboxylic acid CAS Name: (1S,2R)-2-[1-(benzenesulfonyl)-3-indolyl]-1-methoxycarbonyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2R)-2-[1-(benzenesulfonyl)indol-3-yl]-1-methoxycarbonylcyclopropane-1-carboxylic acid Traditional Name: (1S,2R)-2-(1-besylindol-3-yl)-1-carbomethoxy-cyclopropanecarboxylic acid Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)[C@]1(C[C@@H]1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H17NO6S/c1-27-19(24)20(18(22)23)11-16(20)15-12-21(17-10-6-5-9-14(15)17)28(25,26)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H,22,23)/t16-,20+/m1/s1