N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4)C)C

InChI

InChI=1S/C27H34N4O3S/c1-18-16-19(2)21(4)26(20(18)3)35(33,34)31-13-10-24(11-14-31)27(32)29-22(5)23-6-8-25(9-7-23)30-15-12-28-17-30/h6-9,12,15-17,22,24H,10-11,13-14H2,1-5H3,(H,29,32)