1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidin-2-yl]ethanone

Systemtic Name: 1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidin-2-yl]ethanone Openeye Name: 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazin-1-ylmethyl)-1-(4-pyridyl)-2-piperidyl]ethanone CAS Name: 1-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(1-piperazinylmethyl)-1-pyridin-4-yl-2-piperidinyl]ethanone IUPAC Name: 1-[4-(6-chloronaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-ylpiperidin-2-yl]ethanone Traditional Name: 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazinomethyl)-1-(4-pyridyl)-2-piperidyl]ethanone Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H31ClN4O3S/c1-20(33)26-18-27(19-31-14-11-30-12-15-31,8-13-32(26)24-6-9-29-10-7-24)36(34,35)25-5-3-21-16-23(28)4-2-22(21)17-25/h2-7,9-10,16-17,26,30H,8,11-15,18-19H2,1H3