methyl (2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCCC3C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-3-28(25,26)20-21-14-17(15-22-12-7-10-18(22)19(24)27-2)23(20)13-11-16-8-5-4-6-9-16/h4-6,8-9,14,18H,3,7,10-13,15H2,1-2H3/t18-/m0/s1