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

Systemtic Name: methyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pentanoyl)amino]indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7S2/c1-6-7-8-16(21)20(29(5,25)26)13-9-10-15-14(11-13)17(18(22)27-3)12(2)19(15)28(4,23)24/h9-11H,6-8H2,1-5H3