[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2CO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2CO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

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