4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)oxane-4-carboxylic acid

Systemtic Name: 4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)oxane-4-carboxylic acid Openeye Name: 4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)-4-oxanecarboxylic acid IUPAC Name: 4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)oxane-4-carboxylic acid Traditional Name: 4-(1,3,4,9-tetrahydro-$b-carbolin-2-ylsulfonylmethyl)tetrahydropyran-4-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)S(=O)(=O)CC4(CCOCC4)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)S(=O)(=O)CC4(CCOCC4)C(=O)O

InChI

InChI=1S/C18H22N2O5S/c21-17(22)18(6-9-25-10-7-18)12-26(23,24)20-8-5-14-13-3-1-2-4-15(13)19-16(14)11-20/h1-4,19H,5-12H2,(H,21,22)