N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-5-bromanyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-5-bromanyl-thiophene-2-sulfonamide Openeye Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-5-bromo-thiophene-2-sulfonamide CAS Name: N-[4-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-5-bromo-2-thiophenesulfonamide IUPAC Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-5-bromothiophene-2-sulfonamide Traditional Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-5-bromo-thiophene-2-sulfonamide Formula: C22H24BrN3O4S2 MolecularWeight: 538.47766

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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=CC=C(S5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C22H24BrN3O4S2/c23-18-5-6-19(31-18)32(29,30)26-17-3-1-16(2-4-17)20(27)24-25-21(28)22-10-13-7-14(11-22)9-15(8-13)12-22/h1-6,13-15,26H,7-12H2,(H,24,27)(H,25,28)