ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pyridin-4-ylcarbonyl)amino]indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pyridin-4-ylcarbonyl)amino]indole-3-carboxylate Openeye Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pyridine-4-carbonyl)amino]indole-3-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-5-[methylsulfonyl-[oxo(pyridin-4-yl)methyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(pyridine-4-carbonyl)amino]indole-3-carboxylate Traditional Name: 5-[isonicotinoyl(mesyl)amino]-1-mesyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C20H21N3O7S2/c1-5-30-20(25)18-13(2)22(31(3,26)27)17-7-6-15(12-16(17)18)23(32(4,28)29)19(24)14-8-10-21-11-9-14/h6-12H,5H2,1-4H3