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

Systemtic Name: octyl 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: octyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-3-indolecarboxylic acid octyl ester IUPAC Name: octyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2,6-dimethyl-indole-3-carboxylic acid octyl ester Formula: C21H32N2O6S2 MolecularWeight: 472.61858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6S2/c1-6-7-8-9-10-11-12-29-21(24)20-16(3)23(31(5,27)28)19-13-15(2)18(14-17(19)20)22-30(4,25)26/h13-14,22H,6-12H2,1-5H3