4-(5-bromanyl-2-oxidanyl-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Systemtic Name: 4-(5-bromanyl-2-oxidanyl-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Openeye Name: 4-(5-bromo-2-hydroxy-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide CAS Name: 4-(5-bromo-2-hydroxyphenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide IUPAC Name: 4-(5-bromo-2-hydroxyphenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Formula: C26H25BrN2O3S MolecularWeight: 525.4573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C5=C(C=CC(=C5)Br)O

Isomeric SMILES

C1C=CC2C1C(NC3=C2C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C5=C(C=CC(=C5)Br)O

InChI

InChI=1S/C26H25BrN2O3S/c27-18-9-12-25(30)23(15-18)26-21-8-4-7-20(21)22-16-19(10-11-24(22)29-26)33(31,32)28-14-13-17-5-2-1-3-6-17/h1-7,9-12,15-16,20-21,26,28-30H,8,13-14H2