N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-[(3-methylbenzyl)thio]acetamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClN2O3S2/c1-15-5-4-6-16(11-15)13-27-14-20(24)22-17-7-8-18(21)19(12-17)28(25,26)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,22,24)