3-[(2H-benzotriazol-5-ylcarbonylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[(2H-benzotriazol-5-ylcarbonylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N-benzyl-benzenesulfonamide CAS Name: 3-[[[2H-benzotriazol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N-benzylbenzenesulfonamide Traditional Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N-benzyl-benzenesulfonamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C21H18N6O4S/c28-20(25-26-21(29)16-9-10-18-19(12-16)24-27-23-18)15-7-4-8-17(11-15)32(30,31)22-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,25,28)(H,26,29)(H,23,24,27)