ethyl 2-acetamido-2-[5-dec-1-ynyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-2-[5-dec-1-ynyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-2-[5-dec-1-ynyl-1-(p-tolylsulfonyl)indol-3-yl]-3-hydroxy-propanoate CAS Name: 2-acetamido-2-[5-dec-1-ynyl-1-(4-methylphenyl)sulfonyl-3-indolyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-2-[5-dec-1-ynyl-1-(4-methylphenyl)sulfonylindol-3-yl]-3-hydroxypropanoate Traditional Name: 2-acetamido-2-(5-dec-1-ynyl-1-tosyl-indol-3-yl)-3-hydroxy-propionic acid ethyl ester Formula: C32H40N2O6S MolecularWeight: 580.7348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N(C=C2C(CO)(C(=O)OCC)NC(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N(C=C2C(CO)(C(=O)OCC)NC(=O)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C32H40N2O6S/c1-5-7-8-9-10-11-12-13-14-26-17-20-30-28(21-26)29(32(23-35,33-25(4)36)31(37)40-6-2)22-34(30)41(38,39)27-18-15-24(3)16-19-27/h15-22,35H,5-12,23H2,1-4H3,(H,33,36)