[2-methyl-5-[4-(pyridin-2-ylmethylamino)phenyl]sulfonyloxy-benzimidazol-2-yl]carbamic acid

Systemtic Name: [2-methyl-5-[4-(pyridin-2-ylmethylamino)phenyl]sulfonyloxy-benzimidazol-2-yl]carbamic acid Openeye Name: [2-methyl-5-[4-(2-pyridylmethylamino)phenyl]sulfonyloxy-benzimidazol-2-yl]carbamic acid CAS Name: [2-methyl-5-[4-(2-pyridinylmethylamino)phenyl]sulfonyloxy-2-benzimidazolyl]carbamic acid IUPAC Name: [2-methyl-5-[4-(pyridin-2-ylmethylamino)phenyl]sulfonyloxybenzimidazol-2-yl]carbamic acid Traditional Name: [2-methyl-5-[4-(2-pyridylmethylamino)phenyl]sulfonyloxy-benzimidazol-2-yl]carbamic acid Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C2C=CC(=CC2=N1)OS(=O)(=O)C3=CC=C(C=C3)NCC4=CC=CC=N4)NC(=O)O

Isomeric SMILES

CC1(N=C2C=CC(=CC2=N1)OS(=O)(=O)C3=CC=C(C=C3)NCC4=CC=CC=N4)NC(=O)O

InChI

InChI=1S/C21H19N5O5S/c1-21(26-20(27)28)24-18-10-7-16(12-19(18)25-21)31-32(29,30)17-8-5-14(6-9-17)23-13-15-4-2-3-11-22-15/h2-12,23,26H,13H2,1H3,(H,27,28)