2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(3-cyclohexylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[3-(cyclohexylthio)propyl]acetamide Formula: C18H27BrN2O3S2 MolecularWeight: 463.45258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC(=CC=C2)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H27BrN2O3S2/c1-26(23,24)21(16-8-5-7-15(19)13-16)14-18(22)20-11-6-12-25-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,20,22)