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

Systemtic Name: heptyl 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: heptyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-3-indolecarboxylic acid heptyl ester IUPAC Name: heptyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2,6-dimethyl-indole-3-carboxylic acid heptyl ester Formula: C20H30N2O6S2 MolecularWeight: 458.592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S2/c1-6-7-8-9-10-11-28-20(23)19-15(3)22(30(5,26)27)18-12-14(2)17(13-16(18)19)21-29(4,24)25/h12-13,21H,6-11H2,1-5H3