[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl] ester Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O5S/c30-25(29-16-14-28(15-17-29)19-21-6-2-1-3-7-21)20-34-26(31)12-13-27-35(32,33)24-11-10-22-8-4-5-9-23(22)18-24/h1-11,18,27H,12-17,19-20H2/p+1