1-[[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonyl-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one

Systemtic Name: 1-[[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonyl-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one Openeye Name: 1-[[2-(hydroxymethyl)-4-(2-naphthylsulfonyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 1-[[2-(hydroxymethyl)-4-(2-naphthalenylsulfonyl)-1-pyridin-4-yl-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 1-[[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonyl-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one Traditional Name: 1-[[2-methylol-4-(2-naphthylsulfonyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CO)C5=CC=NC=C5

Isomeric SMILES

C1CN(C(CC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CO)C5=CC=NC=C5

InChI

InChI=1S/C26H30N4O4S/c31-18-23-16-26(19-29-14-12-28-17-25(29)32,9-13-30(23)22-7-10-27-11-8-22)35(33,34)24-6-5-20-3-1-2-4-21(20)15-24/h1-8,10-11,15,23,28,31H,9,12-14,16-19H2