ethyl 1-[3-(3-hexyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3-hexyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-hexyl-2-phenylimino-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(3-hexyl-2-phenylimino-4-thiazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-hexyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(3-hexyl-2-phenylimino-4-thiazolin-4-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C29H37N3O4S2 MolecularWeight: 555.75178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C29H37N3O4S2/c1-3-5-6-10-18-32-27(22-37-29(32)30-25-13-8-7-9-14-25)24-12-11-15-26(21-24)38(34,35)31-19-16-23(17-20-31)28(33)36-4-2/h7-9,11-15,21-23H,3-6,10,16-20H2,1-2H3