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

Systemtic Name: methyl (1S,2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S)-2-[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(5-methoxy-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-13-4-7-15(8-5-13)28(24,25)22-12-19(16-11-18(16)21(23)27-3)17-10-14(26-2)6-9-20(17)22/h4-10,12,16,18H,11H2,1-3H3/t16-,18-/m0/s1