[4-naphthalen-2-ylsulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl ethanoate

Systemtic Name: [4-naphthalen-2-ylsulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl ethanoate Openeye Name: [4-(2-naphthylsulfonyl)-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)-2-piperidyl]methyl acetate CAS Name: acetic acid [4-(2-naphthalenylsulfonyl)-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinyl]methyl ester IUPAC Name: [4-naphthalen-2-ylsulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidin-2-yl]methyl acetate Traditional Name: acetic acid [4-[(2-ketopiperazino)methyl]-4-(2-naphthylsulfonyl)-1-(4-pyridyl)-2-piperidyl]methyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)OCC1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H32N4O5S/c1-21(33)37-19-25-17-28(20-31-15-13-30-18-27(31)34,10-14-32(25)24-8-11-29-12-9-24)38(35,36)26-7-6-22-4-2-3-5-23(22)16-26/h2-9,11-12,16,25,30H,10,13-15,17-20H2,1H3