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

Systemtic Name: 3-(1-adamantyl)-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Openeye Name: 3-(1-adamantyl)-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one CAS Name: 3-(1-adamantyl)-5-ethoxy-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-benzimidazolone IUPAC Name: 3-(1-adamantyl)-5-ethoxy-1-(2-methoxy-4-nitrophenyl)sulfonylbenzimidazol-2-one Traditional Name: 3-(1-adamantyl)-5-ethoxy-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)N2C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=C(C=C(C=C6)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)N2C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=C(C=C(C=C6)[N+](=O)[O-])OC

InChI

InChI=1S/C26H29N3O7S/c1-3-36-20-5-6-21-22(12-20)27(26-13-16-8-17(14-26)10-18(9-16)15-26)25(30)28(21)37(33,34)24-7-4-19(29(31)32)11-23(24)35-2/h4-7,11-12,16-18H,3,8-10,13-15H2,1-2H3