1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(3-ethoxy-4-oxidanyl-phenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(3-ethoxy-4-oxidanyl-phenyl)butane-1,4-dione Openeye Name: 1-(3-ethoxy-4-hydroxy-phenyl)-4-(4-indan-5-ylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-4-(3-ethoxy-4-hydroxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(3-ethoxy-4-hydroxyphenyl)butane-1,4-dione Traditional Name: 1-(3-ethoxy-4-hydroxy-phenyl)-4-(4-indan-5-ylsulfonylpiperazino)butane-1,4-dione Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)O

InChI

InChI=1S/C25H30N2O6S/c1-2-33-24-17-20(7-9-23(24)29)22(28)10-11-25(30)26-12-14-27(15-13-26)34(31,32)21-8-6-18-4-3-5-19(18)16-21/h6-9,16-17,29H,2-5,10-15H2,1H3