1-(4-methylphenyl)sulfonyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]urea Openeye Name: 1-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-3-tosyl-urea Formula: C21H30N4O3S+2 MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-18-7-9-20(10-8-18)29(27,28)23-21(26)22-11-12-24-13-15-25(16-14-24)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H2,22,23,26)/p+2