2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-cyclohexylsulfanylethyl)butanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-cyclohexylsulfanylethyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(2-cyclohexylsulfanylethyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(cyclohexylthio)ethyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-cyclohexylsulfanylethyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[2-(cyclohexylthio)ethyl]butyramide Formula: C19H29ClN2O3S2 MolecularWeight: 433.02816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1CCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1CCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H29ClN2O3S2/c1-3-18(19(23)21-12-13-26-17-10-5-4-6-11-17)22(27(2,24)25)16-9-7-8-15(20)14-16/h7-9,14,17-18H,3-6,10-13H2,1-2H3,(H,21,23)