2-[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-1-oxoethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(8-ethyl-1-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetyl]amino]ethanesulfonic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC3=C2CCOC3(C)CC(=O)NCCS(=O)(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1NC3=C2CCOC3(C)CC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-3-12-5-4-6-13-14-7-9-25-18(2,17(14)20-16(12)13)11-15(21)19-8-10-26(22,23)24/h4-6,20H,3,7-11H2,1-2H3,(H,19,21)(H,22,23,24)