N-(1-adamantyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-(1-adamantyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide Openeye Name: N-(1-adamantyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide CAS Name: N-(1-adamantyl)-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanamide IUPAC Name: N-(1-adamantyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide Traditional Name: N-(1-adamantyl)-3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H38N4O3S/c1-2-9-31-24-6-5-22(35(33,34)30-10-3-4-11-30)15-23(24)28-25(31)7-8-26(32)29-27-16-19-12-20(17-27)14-21(13-19)18-27/h5-6,15,19-21H,2-4,7-14,16-18H2,1H3,(H,29,32)