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

Systemtic Name: (1S,2S)-2-[4-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]-N-methoxy-N-methyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-2-[4-cyano-1-(p-tolylsulfonyl)indol-3-yl]-N-methoxy-N-methyl-cyclopropanecarboxamide CAS Name: (1S,2S)-2-[4-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]-N-methoxy-N-methyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-2-[4-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]-N-methoxy-N-methylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-2-(4-cyano-1-tosyl-indol-3-yl)-N-methoxy-N-methyl-cyclopropanecarboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C#N)C4CC4C(=O)N(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C#N)[C@H]4C[C@@H]4C(=O)N(C)OC

InChI

InChI=1S/C22H21N3O4S/c1-14-7-9-16(10-8-14)30(27,28)25-13-19(17-11-18(17)22(26)24(2)29-3)21-15(12-23)5-4-6-20(21)25/h4-10,13,17-18H,11H2,1-3H3/t17-,18-/m0/s1