[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl ethanoate

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl ethanoate Openeye Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)-2-piperidyl]methyl acetate CAS Name: acetic acid [4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinyl]methyl ester IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidin-2-yl]methyl acetate Traditional Name: acetic acid [4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)-2-piperidyl]methyl ester Formula: C28H31ClN4O5S MolecularWeight: 571.08754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(=O)OCC1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4O5S/c1-20(34)38-18-25-16-28(19-32-13-11-31-17-27(32)35,8-12-33(25)24-6-9-30-10-7-24)39(36,37)26-5-3-21-14-23(29)4-2-22(21)15-26/h2-7,9-10,14-15,25,31H,8,11-13,16-19H2,1H3