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

Systemtic Name: (1S,2S)-2-[5-fluoranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-N-methoxy-N-methyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-2-[5-fluoro-1-(p-tolylsulfonyl)indol-3-yl]-N-methoxy-N-methyl-cyclopropanecarboxamide CAS Name: (1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-N-methoxy-N-methyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-N-methoxy-N-methylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-2-(5-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(=C3)F)C4CC4C(=O)N(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4S/c1-13-4-7-15(8-5-13)29(26,27)24-12-19(17-10-14(22)6-9-20(17)24)16-11-18(16)21(25)23(2)28-3/h4-10,12,16,18H,11H2,1-3H3/t16-,18-/m0/s1