2-[(1S,2R)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]ethanamide

Systemtic Name: 2-[(1S,2R)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]ethanamide Openeye Name: 2-[(1S,2R)-2-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopropyl]acetamide CAS Name: 2-[(1S,2R)-2-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]cyclopropyl]acetamide IUPAC Name: 2-[(1S,2R)-2-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]acetamide Traditional Name: 2-[(1S,2R)-2-(5-cyano-1-tosyl-indol-3-yl)cyclopropyl]acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-13-2-5-16(6-3-13)28(26,27)24-12-19(17-9-15(17)10-21(23)25)18-8-14(11-22)4-7-20(18)24/h2-8,12,15,17H,9-10H2,1H3,(H2,23,25)/t15-,17+/m0/s1