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

Systemtic Name: [5-[4-(2-diethylaminoethylamino)phenyl]sulfonyloxy-2-methyl-benzimidazol-2-yl]carbamic acid Openeye Name: [5-[4-(2-diethylaminoethylamino)phenyl]sulfonyloxy-2-methyl-benzimidazol-2-yl]carbamic acid CAS Name: [5-[4-(2-diethylaminoethylamino)phenyl]sulfonyloxy-2-methyl-2-benzimidazolyl]carbamic acid IUPAC Name: [5-[4-(2-diethylaminoethylamino)phenyl]sulfonyloxy-2-methylbenzimidazol-2-yl]carbamic acid Traditional Name: [5-[4-(2-diethylaminoethylamino)phenyl]sulfonyloxy-2-methyl-benzimidazol-2-yl]carbamic acid Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=NC(N=C3C=C2)(C)NC(=O)O

Isomeric SMILES

CCN(CC)CCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=NC(N=C3C=C2)(C)NC(=O)O

InChI

InChI=1S/C21H27N5O5S/c1-4-26(5-2)13-12-22-15-6-9-17(10-7-15)32(29,30)31-16-8-11-18-19(14-16)24-21(3,23-18)25-20(27)28/h6-11,14,22,25H,4-5,12-13H2,1-3H3,(H,27,28)