(2S)-2-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-phenyl)pentanamide

Systemtic Name: (2S)-2-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-phenyl)pentanamide Openeye Name: (2S)-2-methyl-N-[2-morpholino-5-(1-piperidylsulfonyl)phenyl]pentanamide CAS Name: (2S)-2-methyl-N-[2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)phenyl]pentanamide IUPAC Name: (2S)-2-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)pentanamide Traditional Name: (2S)-2-methyl-N-(2-morpholino-5-piperidinosulfonyl-phenyl)valeramide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-3-7-17(2)21(25)22-19-16-18(29(26,27)24-10-5-4-6-11-24)8-9-20(19)23-12-14-28-15-13-23/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,22,25)/t17-/m0/s1