methyl (1R,2S)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylate CAS Name: (1R,2S)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate Traditional Name: (1R,2S)-2-(5-cyano-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-13-3-6-15(7-4-13)28(25,26)23-12-19(16-10-18(16)21(24)27-2)17-9-14(11-22)5-8-20(17)23/h3-9,12,16,18H,10H2,1-2H3/t16-,18+/m0/s1