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

Systemtic Name: methyl (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H31N3O4S MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CCCC2C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C18H31N3O4S/c1-13(2)8-10-21-15(11-19-18(21)26(23,24)14(3)4)12-20-9-6-7-16(20)17(22)25-5/h11,13-14,16H,6-10,12H2,1-5H3/t16-/m0/s1