ethyl 1-cyclopropyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-cyclopropyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-cyclopropyl-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-cyclopropyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CC2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2CC2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H27NO4S2/c1-2-28-22(25)23(14-16-24(17-15-23)18-8-9-18)30(26,27)21-12-10-20(11-13-21)29-19-6-4-3-5-7-19/h3-7,10-13,18H,2,8-9,14-17H2,1H3