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

Systemtic Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pentanoyl)amino]indole-3-carboxylate Openeye Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pentanoyl)amino]indole-3-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(1-oxopentyl)amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pentanoyl)amino]indole-3-carboxylate Traditional Name: 1-mesyl-5-[mesyl(valeryl)amino]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H26N2O7S2 MolecularWeight: 458.54894

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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)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7S2/c1-6-8-9-17(22)21(30(5,26)27)14-10-11-16-15(12-14)18(19(23)28-7-2)13(3)20(16)29(4,24)25/h10-12H,6-9H2,1-5H3