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

Systemtic Name: 3-(1-adamantyl)-1-(4-azanyl-2-methoxy-phenyl)sulfonyl-5-ethoxy-benzimidazol-2-one Openeye Name: 3-(1-adamantyl)-1-(4-amino-2-methoxy-phenyl)sulfonyl-5-ethoxy-benzimidazol-2-one CAS Name: 3-(1-adamantyl)-1-(4-amino-2-methoxyphenyl)sulfonyl-5-ethoxy-2-benzimidazolone IUPAC Name: 3-(1-adamantyl)-1-(4-amino-2-methoxyphenyl)sulfonyl-5-ethoxybenzimidazol-2-one Traditional Name: 3-(1-adamantyl)-1-(4-amino-2-methoxy-phenyl)sulfonyl-5-ethoxy-benzimidazol-2-one Formula: C26H31N3O5S MolecularWeight: 497.60644

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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)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)OC

InChI

InChI=1S/C26H31N3O5S/c1-3-34-20-5-6-21-22(12-20)28(26-13-16-8-17(14-26)10-18(9-16)15-26)25(30)29(21)35(31,32)24-7-4-19(27)11-23(24)33-2/h4-7,11-12,16-18H,3,8-10,13-15,27H2,1-2H3