2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-5-morpholinosulfonyl-N-[2-(m-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 2-chloro-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(3-methylbenzyl)thio]ethyl]-5-morpholinosulfonyl-benzamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-16-3-2-4-17(13-16)15-29-12-7-23-21(25)19-14-18(5-6-20(19)22)30(26,27)24-8-10-28-11-9-24/h2-6,13-14H,7-12,15H2,1H3,(H,23,25)