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

Systemtic Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 3-[(2S)-2-methylindolin-1-yl]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 3-[(2S)-2-methylindolin-1-yl]sulfonyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C27H36N3O4S+ MolecularWeight: 498.65744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C27H35N3O4S/c1-21-18-22-8-3-4-11-25(22)30(21)35(32,33)24-10-7-9-23(19-24)26(31)28-20-27(12-5-2-6-13-27)29-14-16-34-17-15-29/h3-4,7-11,19,21H,2,5-6,12-18,20H2,1H3,(H,28,31)/p+1/t21-/m0/s1