1-[(4-imidazol-1-ylphenyl)methyl]-4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine

Systemtic Name: 1-[(4-imidazol-1-ylphenyl)methyl]-4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine Openeye Name: 1-[(4-imidazol-1-ylphenyl)methyl]-4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]piperidine CAS Name: 1-[[4-(1-imidazolyl)phenyl]methyl]-4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]piperidine IUPAC Name: 1-[(4-imidazol-1-ylphenyl)methyl]-4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine Traditional Name: 1-(4-imidazol-1-ylbenzyl)-4-[1-(2-tosylethyl)imidazol-2-yl]piperidine Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H31N5O2S/c1-22-2-8-26(9-3-22)35(33,34)19-18-31-17-13-29-27(31)24-10-14-30(15-11-24)20-23-4-6-25(7-5-23)32-16-12-28-21-32/h2-9,12-13,16-17,21,24H,10-11,14-15,18-20H2,1H3