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

Systemtic Name: 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)oxane-4-carboxylic acid Openeye Name: 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)tetrahydropyran-4-carboxylic acid CAS Name: 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)-4-oxanecarboxylic acid IUPAC Name: 2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonylmethyl)oxane-4-carboxylic acid Traditional Name: 2-(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:

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCC3=C(C2)NC4=CC=CC=C34

InChI

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