N-[(2S)-1-[4-[(2-chloranyl-4-fluoranyl-phenyl)sulfonylamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(2-chloranyl-4-fluoranyl-phenyl)sulfonylamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-phenyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(2-chloro-4-fluoro-phenyl)sulfonylamino]butylcarbamoyl]-3-methyl-butyl]-5-phenyl-thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]butylamino]-4-methyl-1-oxopentan-2-yl]-5-phenyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]butylamino]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-[(2-chloro-4-fluoro-phenyl)sulfonylamino]butylcarbamoyl]-3-methyl-butyl]-5-phenyl-thiophene-2-carboxamide Formula: C27H31ClFN3O4S2 MolecularWeight: 580.134143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCNS(=O)(=O)C1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCCNS(=O)(=O)C1=C(C=C(C=C1)F)Cl)NC(=O)C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C27H31ClFN3O4S2/c1-18(2)16-22(32-27(34)24-12-11-23(37-24)19-8-4-3-5-9-19)26(33)30-14-6-7-15-31-38(35,36)25-13-10-20(29)17-21(25)28/h3-5,8-13,17-18,22,31H,6-7,14-16H2,1-2H3,(H,30,33)(H,32,34)/t22-/m0/s1