heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-6-methoxy-2-methyl-indole-3-carboxylate

Systemtic Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-6-methoxy-2-methyl-indole-3-carboxylate Openeye Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-6-methoxy-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-(ethylsulfonylamino)-6-methoxy-2-methyl-3-indolecarboxylic acid heptyl ester IUPAC Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-6-methoxy-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-(esylamino)-6-methoxy-2-methyl-indole-3-carboxylic acid heptyl ester Formula: C22H34N2O7S2 MolecularWeight: 502.64456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O7S2/c1-6-9-10-11-12-13-31-22(25)21-16(4)24(33(28,29)8-3)19-15-20(30-5)18(14-17(19)21)23-32(26,27)7-2/h14-15,23H,6-13H2,1-5H3