3-(3,4-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-naphthylsulfonyl)piperazino]propan-1-one Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H28N2O5S/c1-31-23-11-7-19(17-24(23)32-2)8-12-25(28)26-13-15-27(16-14-26)33(29,30)22-10-9-20-5-3-4-6-21(20)18-22/h3-7,9-11,17-18H,8,12-16H2,1-2H3