4-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-morpholinosulfonyl-benzamide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H31N5O4S/c1-3-18-4-5-19(16-21(18)33(30,31)28-12-14-32-15-13-28)23(29)25-20-6-7-22(24-17-20)27-10-8-26(2)9-11-27/h4-7,16-17H,3,8-15H2,1-2H3,(H,25,29)/p+1