ethoxycarbonyl (1S,2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate

Systemtic Name: ethoxycarbonyl (1S,2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate Openeye Name: ethoxycarbonyl (1S,2S)-2-[1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid ethoxycarbonyl ester IUPAC Name: ethoxycarbonyl (1S,2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(1-tosylindol-3-yl)cyclopropanecarboxylic acid carbethoxy ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(=O)C1CC1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-3-28-22(25)29-21(24)18-12-17(18)19-13-23(20-7-5-4-6-16(19)20)30(26,27)15-10-8-14(2)9-11-15/h4-11,13,17-18H,3,12H2,1-2H3/t17-,18-/m0/s1