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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-16-6-2-3-7-17(16)15-28-13-10-23-21(25)19-14-18(8-9-20(19)22)29(26,27)24-11-4-5-12-24/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,23,25)