4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[[4-[(E)-hydroxyiminomethyl]-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[[4-[(E)-hydroxyiminomethyl]-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one Openeye Name: (4E)-4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carbaldehyde oxime CAS Name: (4E)-4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinecarboxaldehyde oxime IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-[(E)-hydroxyiminomethyl]-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one Traditional Name: (4E)-4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)isonipecotaldehyde oxime Formula: C26H28ClN5O4S MolecularWeight: 542.04962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C=NO)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)/C=N/O)C5=CC=NC=C5

InChI

InChI=1S/C26H28ClN5O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)37(35,36)32-14-13-31(25(33)17-32)19-26(18-29-34)7-11-30(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,18,34H,7-8,11-14,17,19H2/b29-18+