N-ethyl-N-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-ethyl-N-(phenylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: N-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethyl-benzamide CAS Name: N-ethyl-N-(phenylmethyl)-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: N-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethylbenzamide Traditional Name: N-benzyl-3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-ethyl-benzamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-2-29(22-24-12-7-4-8-13-24)27(31)25-14-9-15-26(20-25)34(32,33)30-18-16-28(17-19-30)21-23-10-5-3-6-11-23/h3-15,20H,2,16-19,21-22H2,1H3/p+1