N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(ethylamino)-5-triflyl-phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H22F3N3O5S3 MolecularWeight: 525.58529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22F3N3O5S3/c1-2-23-15-6-5-14(32(27,28)19(20,21)22)12-16(15)24-18(26)13-7-9-25(10-8-13)33(29,30)17-4-3-11-31-17/h3-6,11-13,23H,2,7-10H2,1H3,(H,24,26)