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

Systemtic Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-2-methyl-indole-3-carboxylate Openeye Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-(ethylsulfonylamino)-2-methyl-3-indolecarboxylic acid heptyl ester IUPAC Name: heptyl 1-ethylsulfonyl-5-(ethylsulfonylamino)-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-(esylamino)-2-methyl-indole-3-carboxylic acid heptyl ester Formula: C21H32N2O6S2 MolecularWeight: 472.61858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6S2/c1-5-8-9-10-11-14-29-21(24)20-16(4)23(31(27,28)7-3)19-13-12-17(15-18(19)20)22-30(25,26)6-2/h12-13,15,22H,5-11,14H2,1-4H3