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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC1)C(=O)O)CS(=O)(=O)N2CCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

C1CC(C(OC1)C(=O)O)CS(=O)(=O)N2CCC3=C(C2)NC4=CC=CC=C34

InChI

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