(2S)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylsulfonyl)-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylsulfonyl)-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)indoline-5-carboxamide CAS Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-besyl-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)indoline-5-carboxamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c1-17-15-19-16-18(22(26)23-9-10-24-11-13-29-14-12-24)7-8-21(19)25(17)30(27,28)20-5-3-2-4-6-20/h2-8,16-17H,9-15H2,1H3,(H,23,26)/p+1/t17-/m0/s1