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

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-[(E)-hydroxyiminomethyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: (2E)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carbaldehyde oxime CAS Name: (2E)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxaldehyde oxime IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-6-[(E)-hydroxyiminomethyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: (2E)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carbaldehyde oxime Formula: C26H28ClN5O4S MolecularWeight: 542.04962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C=NO)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2C(CN(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/c27-22-3-1-21-14-25(4-2-20(21)13-22)37(35,36)31-17-24(15-29-34)32(26(33)18-31)16-19-7-11-30(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,13-15,19,24,34H,7-8,11-12,16-18H2/b29-15+