1-(3,4-dimethoxyphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-naphthylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-naphthylsulfonyl)piperazino]butane-1,4-dione Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6S/c1-33-24-11-8-21(18-25(24)34-2)23(29)10-12-26(30)27-13-15-28(16-14-27)35(31,32)22-9-7-19-5-3-4-6-20(19)17-22/h3-9,11,17-18H,10,12-16H2,1-2H3