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

Systemtic Name: ethyl 1-[3-(3-phenethyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-phenethyl-2-phenylimino-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(3-phenethyl-2-phenylimino-4-thiazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-phenethyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(3-phenethyl-2-phenylimino-4-thiazolin-4-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C31H33N3O4S2 MolecularWeight: 575.74142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3CCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O4S2/c1-2-38-30(35)25-17-19-33(20-18-25)40(36,37)28-15-9-12-26(22-28)29-23-39-31(32-27-13-7-4-8-14-27)34(29)21-16-24-10-5-3-6-11-24/h3-15,22-23,25H,2,16-21H2,1H3