N-(3-methylphenyl)-N-(phenylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-benzyl-N-(m-tolyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-N-(m-tolyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H27N3O3S2/c1-20-8-7-11-22(16-20)28(18-21-9-3-2-4-10-21)25(29)19-32-24-13-12-23(17-26-24)33(30,31)27-14-5-6-15-27/h2-4,7-13,16-17H,5-6,14-15,18-19H2,1H3