ethyl 4-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H33N4O5S+ MolecularWeight: 501.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O5S/c1-2-34-25(31)28-15-13-27(14-16-28)24(30)22-9-6-10-23(19-22)35(32,33)29-17-11-26(12-18-29)20-21-7-4-3-5-8-21/h3-10,19H,2,11-18,20H2,1H3/p+1