2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[cyclohexyl(p-tolylsulfonyl)amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[cyclohexyl(tosyl)amino]-N-(3-pyridylmethyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-9-11-20(12-10-17)28(26,27)24(19-7-3-2-4-8-19)16-21(25)23-15-18-6-5-13-22-14-18/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,23,25)