4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid CAS Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)sulfamoyl]benzoic acid Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC3=CC(=CC(=C31)CCC2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC12CCCC3=CC(=CC(=C31)CCC2)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-21-10-2-4-15-12-17(13-16(19(15)21)5-3-11-21)22-27(25,26)18-8-6-14(7-9-18)20(23)24/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24)