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

Systemtic Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(phenoxycarbonyl)amino]indole-3-carboxylate Openeye Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(phenoxycarbonyl)amino]indole-3-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-5-[methylsulfonyl-[oxo(phenoxy)methyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-methylsulfonyl-5-[methylsulfonyl(phenoxycarbonyl)amino]indole-3-carboxylate Traditional Name: 5-[carbophenoxy(mesyl)amino]-1-mesyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H22N2O8S2 MolecularWeight: 494.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)OC3=CC=CC=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)OC3=CC=CC=C3)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H22N2O8S2/c1-5-30-20(24)19-14(2)22(32(3,26)27)18-12-11-15(13-17(18)19)23(33(4,28)29)21(25)31-16-9-7-6-8-10-16/h6-13H,5H2,1-4H3