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

Systemtic Name: ethyl 1-[3-[2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[2-phenylimino-3-(3-pyridylmethyl)thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[2-phenylimino-3-(3-pyridinylmethyl)-4-thiazolyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[2-phenylimino-3-(3-pyridylmethyl)-4-thiazolin-4-yl]phenyl]sulfonylisonipecotic acid ethyl ester Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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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)N3CC5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5=CN=CC=C5

InChI

InChI=1S/C29H30N4O4S2/c1-2-37-28(34)23-13-16-32(17-14-23)39(35,36)26-12-6-9-24(18-26)27-21-38-29(31-25-10-4-3-5-11-25)33(27)20-22-8-7-15-30-19-22/h3-12,15,18-19,21,23H,2,13-14,16-17,20H2,1H3