2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-N-(isobutylcarbamoyl)propionamide Formula: C21H31N5O5S2 MolecularWeight: 497.63134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC(C)C(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC(C)C(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H31N5O5S2/c1-5-26-18-7-6-16(33(29,30)25-8-10-31-11-9-25)12-17(18)23-21(26)32-15(4)19(27)24-20(28)22-13-14(2)3/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H2,22,24,27,28)