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

Systemtic Name: methyl (2S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-16(2)29(26,27)21-22-14-18(15-23-12-7-10-19(23)20(25)28-3)24(21)13-11-17-8-5-4-6-9-17/h4-6,8-9,14,16,19H,7,10-13,15H2,1-3H3/t19-/m0/s1