heptyl 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate

Systemtic Name: heptyl 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: heptyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-3-indolecarboxylic acid heptyl ester IUPAC Name: heptyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2-methyl-indole-3-carboxylic acid heptyl ester Formula: C19H28N2O6S2 MolecularWeight: 444.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C19H28N2O6S2/c1-5-6-7-8-9-12-27-19(22)18-14(2)21(29(4,25)26)17-11-10-15(13-16(17)18)20-28(3,23)24/h10-11,13,20H,5-9,12H2,1-4H3