2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3CCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3CCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O4S2/c1-14-7-8-17(13-18(14)32(28,29)26-9-11-30-12-10-26)22-20(27)15(2)31-21-23-19(24-25-21)16-5-3-4-6-16/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,22,27)(H,23,24,25)