methyl 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethyl-indole-3-carboxylate

Systemtic Name: methyl 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethyl-indole-3-carboxylate Openeye Name: methyl 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethyl-indole-3-carboxylate CAS Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethylindole-3-carboxylate Traditional Name: 1-butylsulfonyl-5-(butylsulfonylamino)-2,6-dimethyl-indole-3-carboxylic acid methyl ester Formula: C20H30N2O6S2 MolecularWeight: 458.592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(N2S(=O)(=O)CCCC)C)C(=O)OC)C

Isomeric SMILES

CCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(N2S(=O)(=O)CCCC)C)C(=O)OC)C

InChI

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