4-(methylsulfonylmethyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(methylsulfonylmethyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(methylsulfonylmethyl)benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(mesylmethyl)benzamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-26(24,25)15-17-7-9-18(10-8-17)20(23)21-19-11-12-22(14-19)13-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,21,23)/p+1/t19-/m0/s1