N-[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: N-[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: N-[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: N-[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]-3-phenyl-2-(tosylamino)propionamide Formula: C28H35N3O3S2 MolecularWeight: 525.7258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCC(CC3)(C4=CC=CS4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCC(CC3)(C4=CC=CS4)N(C)C

InChI

InChI=1S/C28H35N3O3S2/c1-21-11-13-24(14-12-21)36(33,34)30-25(20-22-8-5-4-6-9-22)27(32)29-23-15-17-28(18-16-23,31(2)3)26-10-7-19-35-26/h4-14,19,23,25,30H,15-18,20H2,1-3H3,(H,29,32)