3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3-[(2S)-2-methylindolin-1-yl]sulfonyl-N-[(1S,2S)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S,2S)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3-[(2S)-2-methylindolin-1-yl]sulfonyl-N-[(1S,2S)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C27H32N3O3S2+ MolecularWeight: 510.69128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC(C)C(C4=CC=CS4)[NH+]5CCCC5

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N[C@@H](C)[C@@H](C4=CC=CS4)[NH+]5CCCC5

InChI

InChI=1S/C27H31N3O3S2/c1-19-17-21-9-3-4-12-24(21)30(19)35(32,33)23-11-7-10-22(18-23)27(31)28-20(2)26(25-13-8-16-34-25)29-14-5-6-15-29/h3-4,7-13,16,18-20,26H,5-6,14-15,17H2,1-2H3,(H,28,31)/p+1/t19-,20-,26-/m0/s1