2-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole Openeye Name: 2-(4-bromo-2-ethyl-phenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole CAS Name: 2-(4-bromo-2-ethylphenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole IUPAC Name: 2-(4-bromo-2-ethylphenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole Traditional Name: 2-(4-bromo-2-ethyl-phenyl)sulfonyl-1-ethyl-1,3,4,9-tetrahydro-$b-carboline Formula: C21H23BrN2O2S MolecularWeight: 447.38852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1S(=O)(=O)C3=C(C=C(C=C3)Br)CC)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1S(=O)(=O)C3=C(C=C(C=C3)Br)CC)C4=CC=CC=C4N2

InChI

InChI=1S/C21H23BrN2O2S/c1-3-14-13-15(22)9-10-20(14)27(25,26)24-12-11-17-16-7-5-6-8-18(16)23-21(17)19(24)4-2/h5-10,13,19,23H,3-4,11-12H2,1-2H3