3-[(E)-2-chloranylethenyl]-3-(phenylsulfonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one

Systemtic Name: 3-[(E)-2-chloranylethenyl]-3-(phenylsulfonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: 3-(benzenesulfonyl)-3-[(E)-2-chlorovinyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 3-(benzenesulfonyl)-3-[(E)-2-chloroethenyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone IUPAC Name: 3-(benzenesulfonyl)-3-[(E)-2-chloroethenyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 3-besyl-3-[(E)-2-chlorovinyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCNC(C2=O)(C=CCl)S(=O)(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CN2CCNC(C2=O)(/C=C/Cl)S(=O)(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27ClN4O3S/c24-11-10-23(32(30,31)21-4-2-1-3-5-21)22(29)28(17-14-26-23)18-19-8-15-27(16-9-19)20-6-12-25-13-7-20/h1-7,10-13,19,26H,8-9,14-18H2/b11-10+