azanyl 2-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-piperidin-4-yl-1-pyridin-4-yl-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: azanyl 2-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-piperidin-4-yl-1-pyridin-4-yl-piperazin-1-ium-2-yl]ethanoate Openeye Name: amino 2-[2-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-(4-piperidyl)-1-(4-pyridyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[2-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-(4-piperidinyl)-1-pyridin-4-yl-2-piperazin-1-iumyl]acetic acid amino ester IUPAC Name: amino 2-[2-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-piperidin-4-yl-1-pyridin-4-ylpiperazin-1-ium-2-yl]acetate Traditional Name: 2-[2-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-(4-piperidyl)-1-(4-pyridyl)piperazin-1-ium-2-yl]acetic acid amino ester Formula: C26H29ClN5O5S+ MolecularWeight: 559.05696

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(C(=O)CNCC2(CC(=O)ON)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CNCCC1[N+]2(C(=O)CNCC2(CC(=O)ON)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H29ClN5O5S/c27-20-3-1-19-14-23(4-2-18(19)13-20)38(35,36)26(15-25(34)37-28)17-31-16-24(33)32(26,21-5-9-29-10-6-21)22-7-11-30-12-8-22/h1-6,9-10,13-14,22,30-31H,7-8,11-12,15-17,28H2/q+1