(2R)-2-[(2-methylphenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(2-methylphenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(o-tolylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(2-methylphenyl)methylthio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(2-methylphenyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(2-methylbenzyl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CS[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-16-7-3-4-8-18(16)15-27-17(2)21(24)22-19-9-11-20(12-10-19)28(25,26)23-13-5-6-14-23/h3-4,7-12,17H,5-6,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1