N-(2-ethylphenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N5O3S+ MolecularWeight: 458.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O3S/c1-2-19-7-3-4-8-21(19)25-23(29)18-26-13-15-27(16-14-26)22-10-9-20(17-24-22)32(30,31)28-11-5-6-12-28/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3,(H,25,29)/p+1