5-(azepan-1-ylsulfonyl)-N-(2-tert-butylsulfanylethyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(2-tert-butylsulfanylethyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-tert-butylsulfanylethyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(tert-butylthio)ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(2-tert-butylsulfanylethyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylthio)ethyl]-2-methyl-benzamide Formula: C20H32N2O3S2 MolecularWeight: 412.60968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSC(C)(C)C

InChI

InChI=1S/C20H32N2O3S2/c1-16-9-10-17(27(24,25)22-12-7-5-6-8-13-22)15-18(16)19(23)21-11-14-26-20(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3,(H,21,23)