methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pyridin-3-ylcarbonyl)amino]-2-methyl-indole-3-carboxylate

Systemtic Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pyridin-3-ylcarbonyl)amino]-2-methyl-indole-3-carboxylate Openeye Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pyridine-3-carbonyl)amino]-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-[ethylsulfonyl-[oxo(3-pyridinyl)methyl]amino]-2-methyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(pyridine-3-carbonyl)amino]-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-[esyl(nicotinoyl)amino]-2-methyl-indole-3-carboxylic acid methyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=C(C2=C1C=CC(=C2)N(C(=O)C3=CN=CC=C3)S(=O)(=O)CC)C(=O)OC)C

Isomeric SMILES

CCS(=O)(=O)N1C(=C(C2=C1C=CC(=C2)N(C(=O)C3=CN=CC=C3)S(=O)(=O)CC)C(=O)OC)C

InChI

InChI=1S/C21H23N3O7S2/c1-5-32(27,28)23-14(3)19(21(26)31-4)17-12-16(9-10-18(17)23)24(33(29,30)6-2)20(25)15-8-7-11-22-13-15/h7-13H,5-6H2,1-4H3