ethyl 5-[hexanoyl(methylsulfonyl)amino]-2-methyl-1-methylsulfonyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[hexanoyl(methylsulfonyl)amino]-2-methyl-1-methylsulfonyl-indole-3-carboxylate Openeye Name: ethyl 5-[hexanoyl(methylsulfonyl)amino]-2-methyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(1-oxohexyl)amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[hexanoyl(methylsulfonyl)amino]-2-methyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 5-[caproyl(mesyl)amino]-1-mesyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H28N2O7S2 MolecularWeight: 472.57552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O7S2/c1-6-8-9-10-18(23)22(31(5,27)28)15-11-12-17-16(13-15)19(20(24)29-7-2)14(3)21(17)30(4,25)26/h11-13H,6-10H2,1-5H3