ethyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate Openeye Name: ethyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-[ethylsulfonyl(1-oxopentyl)amino]-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethylsulfonyl-5-[ethylsulfonyl(pentanoyl)amino]-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-[esyl(valeryl)amino]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H30N2O7S2 MolecularWeight: 486.6021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)S(=O)(=O)CC)S(=O)(=O)CC

Isomeric SMILES

CCCCC(=O)N(C1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)S(=O)(=O)CC)S(=O)(=O)CC

InChI

InChI=1S/C21H30N2O7S2/c1-6-10-11-19(24)23(32(28,29)9-4)16-12-13-18-17(14-16)20(21(25)30-7-2)15(5)22(18)31(26,27)8-3/h12-14H,6-11H2,1-5H3