pentyl 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate

Systemtic Name: pentyl 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: pentyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-3-indolecarboxylic acid pentyl ester IUPAC Name: pentyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2,6-dimethyl-indole-3-carboxylic acid amyl ester Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)NS(=O)(=O)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)NS(=O)(=O)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C18H26N2O6S2/c1-6-7-8-9-26-18(21)17-13(3)20(28(5,24)25)16-10-12(2)15(11-14(16)17)19-27(4,22)23/h10-11,19H,6-9H2,1-5H3