methyl 2-(3-methylsulfonylphenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(3-methylsulfonylphenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(3-methylsulfonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(3-methylsulfonylphenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylsulfonylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(3-mesylbenzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-28-21(25)14-6-7-18-16(11-14)17-12-23(9-8-19(17)22-18)20(24)13-4-3-5-15(10-13)29(2,26)27/h3-7,10-11,22H,8-9,12H2,1-2H3