N-tert-butyl-N-(phenylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-N-(phenylmethyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-tert-butyl-N-(phenylmethyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-23(2,3)26(17-19-10-6-4-7-11-19)22(27)18-30-21-13-12-20(16-24-21)31(28,29)25-14-8-5-9-15-25/h4,6-7,10-13,16H,5,8-9,14-15,17-18H2,1-3H3