tert-butyl 2-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-piperidinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-(2-tosylethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C29H35N3O5S MolecularWeight: 537.6703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N3O5S/c1-21-9-11-23(12-10-21)38(35,36)20-19-31-18-15-30-26(31)22-13-16-32(17-14-22)27(33)24-7-5-6-8-25(24)28(34)37-29(2,3)4/h5-12,15,18,22H,13-14,16-17,19-20H2,1-4H3