N-(2-ethylphenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H34N5O4S+ MolecularWeight: 500.63356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H33N5O4S/c1-2-20-6-3-4-8-23(20)27-24(31)19-28-14-16-29(17-15-28)25(32)21-9-12-30(13-10-21)35(33,34)22-7-5-11-26-18-22/h3-8,11,18,21H,2,9-10,12-17,19H2,1H3,(H,27,31)/p+1