N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-methyl-pentanamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-methyl-pentanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-4-methyl-pentanamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-4-methylpentanamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-methylpentanamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-4-methyl-valeramide Formula: C22H37N4O4S+ MolecularWeight: 453.61858

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC(C)C

InChI

InChI=1S/C22H36N4O4S/c1-4-24-9-11-25(12-10-24)21-7-6-19(31(28,29)26-13-15-30-16-14-26)17-20(21)23-22(27)8-5-18(2)3/h6-7,17-18H,4-5,8-16H2,1-3H3,(H,23,27)/p+1