3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one

Systemtic Name: 3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Openeye Name: 3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one CAS Name: 3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-benzimidazolone IUPAC Name: 3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitrophenyl)sulfonylbenzimidazol-2-one Traditional Name: 3-cyclohexyl-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCCCC3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)N2C3CCCCC3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O7S/c1-3-32-17-10-11-18-19(14-17)23(15-7-5-4-6-8-15)22(26)24(18)33(29,30)21-12-9-16(25(27)28)13-20(21)31-2/h9-15H,3-8H2,1-2H3