ethyl 1-[4-[[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[oxo-[[4-(4-phenylphenyl)-5-propyl-2-thiazolyl]amino]methyl]phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[4-(4-phenylphenyl)-5-propyl-thiazol-2-yl]carbamoyl]phenyl]sulfonylnipecotic acid ethyl ester Formula: C33H35N3O5S2 MolecularWeight: 617.7781

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N3O5S2/c1-3-9-29-30(25-15-13-24(14-16-25)23-10-6-5-7-11-23)34-33(42-29)35-31(37)26-17-19-28(20-18-26)43(39,40)36-21-8-12-27(22-36)32(38)41-4-2/h5-7,10-11,13-20,27H,3-4,8-9,12,21-22H2,1-2H3,(H,34,35,37)