N,N-diethyl-3,5-dimethyl-1-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrazole-4-sulfonamide

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]pyrazole-4-sulfonamide Formula: C22H37N5O2S+2 MolecularWeight: 435.62648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H35N5O2S/c1-6-26(7-2)30(28,29)22-19(4)23-27(20(22)5)17-25-13-11-24(12-14-25)16-21-10-8-9-18(3)15-21/h8-10,15H,6-7,11-14,16-17H2,1-5H3/p+2