N-(1-ethylpiperidin-1-ium-4-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H26N4O4S/c1-2-21-9-6-15(7-10-21)20-18(24)14-4-3-5-16(12-14)27(25,26)22-11-8-19-17(23)13-22/h3-5,12,15H,2,6-11,13H2,1H3,(H,19,23)(H,20,24)/p+1