N-[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-(propylsulfonylamino)benzamide

Systemtic Name: N-[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-(propylsulfonylamino)benzamide Openeye Name: N-[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-(propylsulfonylamino)benzamide CAS Name: N-[(2S)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-3-(propylsulfonylamino)benzamide IUPAC Name: N-[(2S)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-3-(propylsulfonylamino)benzamide Traditional Name: N-[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-(propylsulfonylamino)benzamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC(C(CC)CC)[NH+]2CCOCC2

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2

InChI

InChI=1S/C21H35N3O4S/c1-4-14-29(26,27)23-19-9-7-8-18(15-19)21(25)22-16-20(17(5-2)6-3)24-10-12-28-13-11-24/h7-9,15,17,20,23H,4-6,10-14,16H2,1-3H3,(H,22,25)/p+1/t20-/m1/s1