(1S,2S)-2-[4-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-N-methoxy-N-methyl-cyclopropane-1-carboxamide

Systemtic Name: (1S,2S)-2-[4-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-N-methoxy-N-methyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-2-[4-fluoro-1-(p-tolylsulfonyl)indol-3-yl]-N-methoxy-N-methyl-cyclopropanecarboxamide CAS Name: (1S,2S)-2-[4-fluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-N-methoxy-N-methyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-2-[4-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-N-methoxy-N-methylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-2-(4-fluoro-1-tosyl-indol-3-yl)-N-methoxy-N-methyl-cyclopropanecarboxamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3F)C4CC4C(=O)N(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3F)[C@H]4C[C@@H]4C(=O)N(C)OC

InChI

InChI=1S/C21H21FN2O4S/c1-13-7-9-14(10-8-13)29(26,27)24-12-17(20-18(22)5-4-6-19(20)24)15-11-16(15)21(25)23(2)28-3/h4-10,12,15-16H,11H2,1-3H3/t15-,16-/m0/s1