3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H34N4O4S/c1-5-28(6-2)25(31)21-8-7-9-22(17-21)26-24(30)18-27-12-14-29(15-13-27)34(32,33)23-11-10-19(3)20(4)16-23/h7-11,16-17H,5-6,12-15,18H2,1-4H3,(H,26,30)/p+1