2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(m-tolylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(3-methylbenzyl)thio]ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S2/c1-16-5-4-6-17(13-16)15-28-12-9-23-21(25)19-14-18(7-8-20(19)22)29(26,27)24-10-2-3-11-24/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,23,25)