3-[[6-(dioctylcarbamoyl)-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]benzenesulfonic acid

Systemtic Name: 3-[[6-(dioctylcarbamoyl)-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]benzenesulfonic acid Openeye Name: 3-[[6-(dioctylcarbamoyl)-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]benzenesulfonic acid CAS Name: 3-[[6-[(dioctylamino)-oxomethyl]-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]benzenesulfonic acid IUPAC Name: 3-[[6-(dioctylcarbamoyl)-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]benzenesulfonic acid Traditional Name: 3-[[6-(dioctylcarbamoyl)-8-nitro-4a,5,8,8a-tetrahydronaphthalen-1-yl]sulfamoyl]besylic acid Formula: C33H49N3O8S2 MolecularWeight: 679.88746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=O)C1=CC(C2C(C1)C=CC=C2NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=O)C1=CC(C2C(C1)C=CC=C2NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C33H49N3O8S2/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33(37)27-23-26-17-15-20-30(32(26)31(24-27)36(38)39)34-45(40,41)28-18-16-19-29(25-28)46(42,43)44/h15-20,24-26,31-32,34H,3-14,21-23H2,1-2H3,(H,42,43,44)