N-(2-cyanoethyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H31N6O4S+ MolecularWeight: 499.60574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H30N6O4S/c25-9-4-10-30(21-5-2-1-3-6-21)24(31)20-27-11-13-28(14-12-27)23-8-7-22(19-26-23)35(32,33)29-15-17-34-18-16-29/h1-3,5-8,19H,4,10-18,20H2/p+1