5-chloranyl-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]thiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]thiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]thiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-2-thiophenesulfonamide IUPAC Name: 5-chloro-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]thiophene-2-sulfonamide Traditional Name: 5-chloro-N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]thiophene-2-sulfonamide Formula: C17H20ClN3O6S3 MolecularWeight: 494.0052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H20ClN3O6S3/c1-11-7-12(2)10-20(9-11)30(26,27)13-3-4-14(15(8-13)21(22)23)19-29(24,25)17-6-5-16(18)28-17/h3-6,8,11-12,19H,7,9-10H2,1-2H3/t11-,12-/m1/s1