4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-oxidanyl-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-oxidanyl-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-hydroxy-1-[(1-pyrimidin-4-yl-4-piperidyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-hydroxy-1-[[1-(4-pyrimidinyl)-4-piperidinyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-4-hydroxy-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-hydroxy-1-[[1-(4-pyrimidyl)-4-piperidyl]methyl]piperazin-4-ium-2-one Formula: C24H27ClN5O4S+ MolecularWeight: 517.02028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC[N+](CC2=O)(O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=NC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CC[N+](CC2=O)(O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=NC=NC=C5

InChI

InChI=1S/C24H27ClN5O4S/c25-21-3-1-20-14-22(4-2-19(20)13-21)35(33,34)30(32)12-11-29(24(31)16-30)15-18-6-9-28(10-7-18)23-5-8-26-17-27-23/h1-5,8,13-14,17-18,32H,6-7,9-12,15-16H2/q+1