3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(2S)-2-methylindolin-1-yl]sulfonyl-benzamide CAS Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(2S)-2-methylindolin-1-yl]sulfonyl-benzamide Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c1-21-18-23-10-5-6-13-27(23)31(21)35(33,34)26-12-7-11-24(19-26)28(32)29-25-14-16-30(17-15-25)20-22-8-3-2-4-9-22/h2-13,19,21,25H,14-18,20H2,1H3,(H,29,32)/p+1/t21-/m0/s1