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

Systemtic Name: ethyl 1-[3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-pentyl-2-phenylimino-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(3-pentyl-2-phenylimino-4-thiazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(3-amyl-2-phenylimino-4-thiazolin-4-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C28H35N3O4S2 MolecularWeight: 541.7252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H35N3O4S2/c1-3-5-9-17-31-26(21-36-28(31)29-24-12-7-6-8-13-24)23-11-10-14-25(20-23)37(33,34)30-18-15-22(16-19-30)27(32)35-4-2/h6-8,10-14,20-22H,3-5,9,15-19H2,1-2H3