2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[methyl-[4-(methylthio)benzyl]amino]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S2/c1-23(15-17-5-9-19(28-2)10-6-17)16-21(25)22-18-7-11-20(12-8-18)29(26,27)24-13-3-4-14-24/h5-12H,3-4,13-16H2,1-2H3,(H,22,25)