ethyl 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C20H35N3O4S MolecularWeight: 413.5746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C20H35N3O4S/c1-6-27-19(24)17-8-10-22(11-9-17)14-18-13-21-20(28(25,26)16(4)5)23(18)12-7-15(2)3/h13,15-17H,6-12,14H2,1-5H3