2-[4-[3-(1-adamantyl)-5-ethoxy-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-guanidine

Systemtic Name: 2-[4-[3-(1-adamantyl)-5-ethoxy-2-oxidanylidene-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-guanidine Openeye Name: 2-[4-[3-(1-adamantyl)-5-ethoxy-2-oxo-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-guanidine CAS Name: 2-[4-[[3-(1-adamantyl)-5-ethoxy-2-oxo-1-benzimidazolyl]sulfonyl]-3-methoxyphenyl]-1,1-diethylguanidine IUPAC Name: 2-[4-[3-(1-adamantyl)-5-ethoxy-2-oxobenzimidazol-1-yl]sulfonyl-3-methoxyphenyl]-1,1-diethylguanidine Traditional Name: 2-[4-[3-(1-adamantyl)-5-ethoxy-2-keto-benzimidazol-1-yl]sulfonyl-3-methoxy-phenyl]-1,1-diethyl-guanidine Formula: C31H41N5O5S MolecularWeight: 595.75274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OCC)N(C2=O)C45CC6CC(C4)CC(C6)C5)OC)N

Isomeric SMILES

CCN(CC)C(=NC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OCC)N(C2=O)C45CC6CC(C4)CC(C6)C5)OC)N

InChI

InChI=1S/C31H41N5O5S/c1-5-34(6-2)29(32)33-23-8-11-28(27(15-23)40-4)42(38,39)36-25-10-9-24(41-7-3)16-26(25)35(30(36)37)31-17-20-12-21(18-31)14-22(13-20)19-31/h8-11,15-16,20-22H,5-7,12-14,17-19H2,1-4H3,(H2,32,33)