(2R)-N-(1-adamantyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C23H32N4O3S2 MolecularWeight: 476.65518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N4O3S2/c1-3-6-27-20-5-4-18(32(24,29)30)10-19(20)25-22(27)31-14(2)21(28)26-23-11-15-7-16(12-23)9-17(8-15)13-23/h4-5,10,14-17H,3,6-9,11-13H2,1-2H3,(H,26,28)(H2,24,29,30)/t14-,15?,16?,17?,23?/m1/s1