N-[(1R,2S)-2-[6-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]-N-methoxy-ethanamide

Systemtic Name: N-[(1R,2S)-2-[6-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]-N-methoxy-ethanamide Openeye Name: N-[(1R,2S)-2-[6-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopropyl]-N-methoxy-acetamide CAS Name: N-[(1R,2S)-2-[6-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]cyclopropyl]-N-methoxyacetamide IUPAC Name: N-[(1R,2S)-2-[6-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]-N-methoxyacetamide Traditional Name: N-[(1R,2S)-2-(6-cyano-1-tosyl-indol-3-yl)cyclopropyl]-N-methoxy-acetamide 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=C2C=C(C=C3)C#N)C4CC4N(C(=O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-14-4-7-17(8-5-14)30(27,28)24-13-20(18-9-6-16(12-23)10-21(18)24)19-11-22(19)25(29-3)15(2)26/h4-10,13,19,22H,11H2,1-3H3/t19-,22+/m0/s1