ethyl 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoate

Systemtic Name: ethyl 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoate Openeye Name: ethyl 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoate CAS Name: 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoate Traditional Name: 2-[[(3aR,7aR)-2-methyl-3a-phenyl-5,6,7,7a-tetrahydro-4H-benzimidazol-1-yl]sulfonyl]benzoic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)N2C3CCCCC3(N=C2C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)N2[C@@H]3CCCC[C@@]3(N=C2C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4S/c1-3-29-22(26)19-13-7-8-14-20(19)30(27,28)25-17(2)24-23(16-10-9-15-21(23)25)18-11-5-4-6-12-18/h4-8,11-14,21H,3,9-10,15-16H2,1-2H3/t21-,23-/m1/s1