3-[(2-chloranyl-4-morpholin-4-yl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-morpholin-4-yl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-morpholino-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(4-morpholinyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-morpholino-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)N4CCOCC4)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)N4CCOCC4)Cl)C

InChI

InChI=1S/C25H31ClN4O4S/c1-3-4-5-14-35(32,33)28-25(31)19-7-9-23-24(15-19)30(18(2)27-23)17-20-6-8-21(16-22(20)26)29-10-12-34-13-11-29/h6-9,15-16H,3-5,10-14,17H2,1-2H3,(H,28,31)