N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-2,5-bis(chloranyl)thiophene-3-sulfonamide

Systemtic Name: N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-2,5-bis(chloranyl)thiophene-3-sulfonamide Openeye Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,5-dichloro-thiophene-3-sulfonamide CAS Name: N-[4-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-2,5-dichloro-3-thiophenesulfonamide IUPAC Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,5-dichlorothiophene-3-sulfonamide Traditional Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,5-dichloro-thiophene-3-sulfonamide Formula: C22H23Cl2N3O4S2 MolecularWeight: 528.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=C(SC(=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=C(SC(=C5)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O4S2/c23-18-8-17(19(24)32-18)33(30,31)27-16-3-1-15(2-4-16)20(28)25-26-21(29)22-9-12-5-13(10-22)7-14(6-12)11-22/h1-4,8,12-14,27H,5-7,9-11H2,(H,25,28)(H,26,29)