(2S)-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C20H28N4O3S/c1-15(2)14-28(26,27)20-22-11-17(13-23-10-6-9-18(23)19(21)25)24(20)12-16-7-4-3-5-8-16/h3-5,7-8,11,15,18H,6,9-10,12-14H2,1-2H3,(H2,21,25)/p+1/t18-/m0/s1