(3S)-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: (3S)-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (3S)-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: (3S)-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (3S)-2-methylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (3S)-2-mesyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H14N2O4S/c1-20(18,19)15-7-11-9(6-12(15)13(16)17)8-4-2-3-5-10(8)14-11/h2-5,12,14H,6-7H2,1H3,(H,16,17)/t12-/m0/s1