N-butyl-2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5S/c1-2-3-8-22-20(26)17-23-9-11-24(12-10-23)21(27)18-4-6-19(7-5-18)31(28,29)25-13-15-30-16-14-25/h4-7H,2-3,8-17H2,1H3,(H,22,26)/p+1