2-[4-[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[5-(cyclopropylsulfamoyl)-2-methylphenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3CC3)C

InChI

InChI=1S/C21H32N4O4S/c1-4-24(5-2)20(26)15-23-10-12-25(13-11-23)21(27)19-14-18(9-6-16(19)3)30(28,29)22-17-7-8-17/h6,9,14,17,22H,4-5,7-8,10-13,15H2,1-3H3/p+1