1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-yloxy-ethanone; oxidanylsulfamic acid

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-yloxy-ethanone; oxidanylsulfamic acid Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1-naphthyloxy)ethanone; hydroxysulfamic acid CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(1-naphthalenyloxy)ethanone; hydroxysulfamic acid IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-yloxyethanone; hydroxysulfamic acid Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(1-naphthoxy)ethanone; hydroxysulfamic acid Formula: C23H26ClN3O6S MolecularWeight: 507.98704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC4=CC=CC=C43.N(O)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC=CC4=CC=CC=C43.N(O)S(=O)(=O)O

InChI

InChI=1S/C23H23ClN2O2.H3NO4S/c24-20-10-8-18(9-11-20)16-25-12-14-26(15-13-25)23(27)17-28-22-7-3-5-19-4-1-2-6-21(19)22;2-1-6(3,4)5/h1-11H,12-17H2;1-2H,(H,3,4,5)