methyl 2-quinolin-8-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 2-quinolin-8-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 2-(8-quinolylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 2-(8-quinolinylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-quinolin-8-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 2-(8-quinolylsulfonyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=CC4=C3N=CC=C4)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=CC4=C3N=CC=C4)NC5=CC=CC=C25

InChI

InChI=1S/C22H19N3O4S/c1-29-22(26)19-12-16-15-8-2-3-9-17(15)24-18(16)13-25(19)30(27,28)20-10-4-6-14-7-5-11-23-21(14)20/h2-11,19,24H,12-13H2,1H3