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

Systemtic Name: ethyl 1-[3-(3-butyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-butyl-2-phenylimino-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(3-butyl-2-phenylimino-4-thiazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-butyl-2-phenylimino-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(3-butyl-2-phenylimino-4-thiazolin-4-yl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C27H33N3O4S2/c1-3-5-16-30-25(20-35-27(30)28-23-11-7-6-8-12-23)22-10-9-13-24(19-22)36(32,33)29-17-14-21(15-18-29)26(31)34-4-2/h6-13,19-21H,3-5,14-18H2,1-2H3